ChemicalBook--->CAS DataBase List--->17345-77-6

17345-77-6

17345-77-6 Structure

17345-77-6 Structure
IdentificationBack Directory
[Name]

4-BROMOCATECHOL
[CAS]

17345-77-6
[Synonyms]

-Bromocatechol
4-BROMOCATECHOL
4-Bromocatechol>
4-bromopyrocatechol
4-Bromo-1,2-benzenediol
4-broMobenzene-1,2-diol
1,2-Benzenediol, 4-broMo-
4-BROMO-1,2-DIHYDROXYBENZENE
[EINECS(EC#)]

241-370-5
[Molecular Formula]

C6H5BrO2
[MDL Number]

MFCD00869769
[MOL File]

17345-77-6.mol
[Molecular Weight]

189.01
Chemical PropertiesBack Directory
[Melting point ]

87 °C
[Boiling point ]

280.5±20.0 °C(Predicted)
[density ]

1.844±0.06 g/cm3(Predicted)
[storage temp. ]

under inert gas (nitrogen or Argon) at 2-8°C
[solubility ]

DMSO
[form ]

Solid
[pka]

8.84±0.10(Predicted)
[color ]

Brown
[Stability:]

Light Sensitive
[InChI]

InChI=1S/C6H5BrO2/c7-4-1-2-5(8)6(9)3-4/h1-3,8-9H
[InChIKey]

AQVKHRQMAUJBBP-UHFFFAOYSA-N
[SMILES]

C1(O)=CC=C(Br)C=C1O
Safety DataBack Directory
[Risk Statements ]

36/37/38
[Safety Statements ]

26-36/37/39-24/25
[HS Code ]

29081990
Raw materials And Preparation ProductsBack Directory
[Raw materials]

Acetic acid-->Catechol-->4-Bromo-2-methoxyphenol-->5-Bromo-2-methoxyphenol-->Acetonitrile
Hazard InformationBack Directory
[Chemical Properties]

Grey powder
[Uses]

A type of human dopamine sulfotransferase, belonging to the catechol family of molecules.
[Definition]

ChEBI: 4-Bromocatechol is a member of catechols.
[Synthesis]

Catechol

120-80-9

4-BROMOCATECHOL

17345-77-6

GENERAL METHODS: Catechol (1 mmol) was dissolved in acetonitrile (5 mL) and a magnetic stirrer was added to form a magnetically stirred solution. Subsequently, OXBTEATB (0.233 g, 0.5 mmol) was added to the solution and the reaction was stirred at room temperature for the reaction time referred to in Table 1.The reaction progress was monitored by thin layer chromatography (TLC) with an eluent ratio of hexane/ethyl acetate (5:1). Upon completion of the reaction, OXBTEATB was removed by filtration, and the filtrate was transferred to a partition funnel and extracted sequentially with water (15 mL) and dichloromethane (20 mL). The organic layer was collected and dried with anhydrous Na2SO4 and subsequently concentrated in a rotary evaporator to remove solvent. The crude product was purified by silica gel column chromatography, the eluent being a solvent mixture of hexane and ethyl acetate. To regenerate the reagents, the resulting white solid was treated with liquid bromine. The structures of all products were confirmed by determination of melting points or 1H NMR spectra and comparison with data reported in the literature [29a-29e].

[References]

[1] Synthetic Communications, 2007, vol. 37, # 2, p. 323 - 328
[2] Organic letters, 2002, vol. 4, # 22, p. 3975 - 3978
[3] Molecules, 2014, vol. 19, # 3, p. 3401 - 3416
[4] Patent: US4791139, 1988, A
[5] Letters in Organic Chemistry, 2018, vol. 15, # 8, p. 682 - 687
Spectrum DetailBack Directory
[Spectrum Detail]

4-BROMOCATECHOL(17345-77-6)1HNMR
17345-77-6 suppliers list
Company Name: Tianjin Ji Ping Jia Chemical Co., Ltd.  Gold
Telephone: 18622448868
Website: http://www.chemicalbook.com/ShowSupplierProductsList15263/0.htm
Company Name: J & K SCIENTIFIC LTD.  
Telephone: 18210857532 18210857532
Website: https://www.jkchemical.com
Company Name: TCI (Shanghai) Development Co., Ltd.  
Telephone: 021-67121386
Website: https://www.tcichemicals.com/CN/zh/
Company Name: BeiJing Hwrk Chemicals Limted  
Telephone: 0757-86329057 18934348241
Website: www.hwrkchemical.com/
Company Name: Energy Chemical  
Telephone: 400-0056266
Website: www.energy-chemical.com
Company Name: Accela ChemBio Co.,Ltd.  
Telephone: 021-50795510 4000665055
Website: http://www.shao-yuan.com/
Company Name: Nanjing Chemlin Chemical Co., Ltd  
Telephone: 025-83697070 13770331960
Website: www.echemlin.cn
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: Shandong Xiya Chemical Co., Ltd  
Telephone: 13355009207 13355009207
Website: http://www.xiyashiji.com
Company Name: Suzhou Sibian Chemical Technology Co.,Ltd.   
Telephone: 0512-65617459 18915409046
Website: www.sibian-chem.com
Company Name: Shanghai Topbiochem Technology Co., Ltd  
Telephone: 021-58170097
Website: www.topbiochem.com
Company Name: Shanghai T&W Pharmaceutical Co., Ltd.  
Telephone: +86 21 61551611
Website: www.trustwe.com
Company Name: Jiangsu Aikon Biopharmaceutical R&D co.,Ltd.  
Telephone: 025-66113011 13913916777
Website: www.aikonchem.com/
Company Name: 9ding chemical ( Shanghai) Limited  
Telephone: 4009209199
Website: www.9dingchem.com
Company Name: Shanghai Aladdin Bio-Chem Technology Co.,LTD  
Telephone: 400-6206333 13167063860
Website: www.aladdin-e.com/
Company Name: Shanghai Raise Chemical Technology Co.,Ltd  
Telephone: +86-021-50935922
Website: www.raise-chem.com
Company Name: ShangHai Zexin Chemical Technology Co., Ltd.  
Telephone: 021-60136491 15901897992
Website: www.chemicalbook.com/ShowSupplierProductsList16069/0_EN.htm
Tags:17345-77-6 Related Product Information
53207-08-2 1575-37-7 51655-39-1 5392-10-9 2675-79-8 4697-62-5 27452-00-2 52287-51-1 5034-74-2 6286-46-0 2973-75-3 2859-78-1 120-80-9 2635-13-4 15930-53-7