ChemicalBook--->CAS DataBase List--->115962-35-1

115962-35-1

115962-35-1 Structure

115962-35-1 Structure
IdentificationMore
[Name]

BOC-D-TIC-OH
[CAS]

115962-35-1
[Synonyms]

2,3(1H)-ISOQUINOLINEDICARBOXYLIC ACID, 3,4-DIHYDRO-,2-(1,1-DIMETHYLETHYL) ESTER, (3R)-
(3R)-N-BOC-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID
BOC-1,2,3,4-D-TETRAHYDROISOQUINOLINE-3-CARBOXYLIC ACID
BOC-(3R)-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYLIC ACID
BOC-D-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYLIC ACID
BOC-D-TETRAHYDROISOQUINOLINE-3-CARBOXYLIC ACID
BOC-D-TIC
BOC-D-TIC-OH
BOC-(R)-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYLIC ACID
N-1-BOC-D-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID
N-1-T-BOC-D-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID
N-ALPHA-T-BOC-D-1,2,3,4-TETRAHYDRO-ISOQUINOLINE-3-CARBOXYLIC ACID
N-ALPHA-T-BUTOXYCARBONYL-D-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYLIC ACID
N-BOC-D-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYLIC ACID
N-TERT-BUTYLOXYCARBONYL-D-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYLIC ACID
(R)-(-)-2-(TERT-BUTOXYCARBONYL)-1,2,3,4-TETRAHYDRO-3-ISOQUINOLINECARBOXYLIC ACID
RARECHEM BK PT 0080
(R)-(-)-N-BOC-1,2,3,4-TETRAHYDRO-3-ISOQUINOLINECARBOXYLIC ACID
(R)-N-BOC-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYLIC ACID
N-t-Butyloxycarbonyl-D-1,2,3,4-tetrahydroisoquinoline-3-carboxylicacid
[Molecular Formula]

C15H19NO4
[MDL Number]

MFCD00143818
[Molecular Weight]

277.32
[MOL File]

115962-35-1.mol
Chemical PropertiesBack Directory
[Appearance]

white to light beige powder
[Melting point ]

122-123℃
[Boiling point ]

420.18°C (rough estimate)
[density ]

1.1311 (rough estimate)
[refractive index ]

1.5080 (estimate)
[storage temp. ]

0-6°C
[pka]

3.88±0.20(Predicted)
[CAS DataBase Reference]

115962-35-1(CAS DataBase Reference)
Questions And AnswerBack Directory
[Uses]

BOC-D-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid can be used as an organic synthesis intermediate. It can be obtained by protecting (3R)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid hydrochloride with Boc, or by reacting L-Phe with aqueous formaldehyde solution and tert-butoxyanhydride.
Safety DataBack Directory
[Hazard Codes ]

Xi
[Risk Statements ]

36/37/38
[Safety Statements ]

26
[WGK Germany ]

3
[HazardClass ]

IRRITANT
[HS Code ]

29334900
Hazard InformationBack Directory
[Chemical Properties]

white to light beige powder
[Synthesis]

Di-tert-butyl dicarbonate

24424-99-5

L-1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid

74163-81-8

BOC-D-TIC-OH

115962-35-1

The general procedure for the synthesis of (R)-2-(tert-butoxycarbonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid from di-tert-butyl dicarbonate and (S)-(-)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid was as follows: (S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid (50.0 g, 282 mmol) was suspended in 1,4-dioxane ( 1000 mL) and water (500 mL) in a solvent mixture with vigorous stirring. Subsequently, sodium bicarbonate (47.4 g, 564 mmol) and di-tert-butyl dicarbonate (67.7 g, 310 mmol) were added and the reaction mixture was stirred continuously at room temperature for 6 days. After completion of the reaction, the mixture was concentrated under reduced pressure to remove the solvent. The concentrated residue was dissolved in water (2000 mL) and acidified by adding 30% w/v aqueous sodium bisulfate monohydrate (300 mL). The acidified aqueous phase was extracted with chloroform (3 x 1000 mL) and the organic phases were combined. The organic phases were sequentially washed with saturated saline, dried over anhydrous sodium sulfate, and subsequently concentrated under reduced pressure to afford the target product (R)-2-(tert-butoxycarbonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid (90.0 g, quantitative yield) as a thick slurry. The product was confirmed by LCMS analysis: retention time (RT) 3.64 min; mass spectral data: m/z 178.1 [M-Boc + 2H]+; m/z 276.1 [M-H]-.

[References]

[1] Patent: WO2017/153513, 2017, A1. Location in patent: Page/Page column 78
[2] Patent: WO2017/153515, 2017, A1. Location in patent: Page/Page column 62
[3] Patent: WO2017/153520, 2017, A1. Location in patent: Page/Page column 44; 47
[4] Patent: WO2017/153519, 2017, A1. Location in patent: Page/Page column 56; 59
[5] Tetrahedron Letters, 2001, vol. 42, # 43, p. 7559 - 7561
Spectrum DetailBack Directory
[Spectrum Detail]

BOC-D-TIC-OH(115962-35-1)1HNMR
Well-known Reagent Company Product InformationBack Directory
[Acros Organics]

N-BOC-D-1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid, 99%(115962-35-1)
[Sigma Aldrich]

115962-35-1(sigmaaldrich)
115962-35-1 suppliers list
Company Name: J & K SCIENTIFIC LTD.  
Telephone: 18210857532 18210857532
Website: https://www.jkchemical.com
Company Name: Shanghai HC Biotech Co., Ltd  
Telephone: 021-20227858
Website: http://www.hcbiotech.com.cn
Company Name: Alfa Aesar  
Telephone: 400-6106006
Website: http://chemicals.thermofisher.cn
Company Name: BeiJing Hwrk Chemicals Limted  
Telephone: 0757-86329057 18934348241
Website: www.hwrkchemical.com/
Company Name: Energy Chemical  
Telephone: 400-0056266 18918157536;
Website: http://www.energy-chemical.com
Company Name: Wuhan Chemwish Technology Co., Ltd  
Telephone: 86-027-67849912
Website: www.chemwish.com
Company Name: Suzhou haiyu Biochem Industrial Co., LTD  
Telephone: 512-68097639 18013585858
Website: http://www.haiyubiochem.com
Company Name: Jia Xing Isenchem Co.,Ltd  
Telephone: 0573-85285100 18627885956
Website: https://www.chemicalbook.com/ShowSupplierProductsList14265/0_EN.htm
Company Name: Adamas Reagent, Ltd.  
Telephone: 4006009262 13023226327
Website: http://www.tansoole.com
Company Name: Shanghai Hanhong Scientific Co.,Ltd.  
Telephone: 021-54306202 13764082696
Website: https://www.hanhongsci.com
Company Name: Chemsky (shanghai) International Co.,Ltd  
Telephone: 021-50135380
Website: www.shchemsky.com
Company Name: Tianjin heowns Biochemical Technology Co., Ltd.  
Telephone: 400 638 7771
Website: www.heowns.com
Company Name: Shenzhen Sungening Bio-Tech Co., Ltd  
Telephone: +86-0755-89668383
Website: www.sungening.com/en
Company Name: Chengdu Forest Science and Technology Development Co., Ltd.  
Telephone: 18030648795 18030648795
Website: www.cdforestchem.com
Company Name: Beijing HuaMeiHuLiBiological Chemical   
Telephone: 010-56205725
Website: www.huabeibiochem.com
Company Name: Shanghai Litong Chemical Technology Co.,Ltd.  
Telephone: 13598610367 0373-7129549
Website: www.chemicalbook.com/ShowSupplierProductsList15712/0_EN.htm
Company Name: Shanghai Topbiochem Technology Co., Ltd  
Telephone: +86-21-60341587
Website: www.topbiochem.com
Company Name: Jiangsu Aikon Biopharmaceutical R&D co.,Ltd.  
Telephone: 025-66113011 13913916777
Website: www.aikonchem.com/
Tags:115962-35-1 Related Product Information
103733-65-9