ChemicalBook--->CAS DataBase List--->156478-71-6

156478-71-6

156478-71-6 Structure

156478-71-6 Structure
IdentificationBack Directory
[Name]

4-Boc-1-piperazineacetic acid
[CAS]

156478-71-6
[Synonyms]

4-Boc-piperazineacetic Acid
BOC-4-CARBOXYMETHYLPIPERAZINE
4-Boc-1-piperazineacetic acid
2-(4-Boc-piperazino)acetic acid
1-BOC-4-CARBOXYMETHYL PIPERAZINE
(1-BOC-PIPERAZIN-4-YL)ACETIC ACID
2-(4-Boc-1-piperazinyl)acetic acid
2-(1-BOC-PIPERAZIN-4-YL)-ACETIC ACID
2-(1-BOC-PIPERAZIN-4-YL)-ACETIC ACID 2 H2O
2-(1-BOC-PIPERAZIN-4-YL)-ACETIC ACID X 2 H2O
2-(1-Boc-Piperazin-4-yl)-acetic acid hydrate
2-(1-Boc-piperazin-4-yl)-acetic acid dihydrate
[4-(tert-Butoxycarbonyl)-1-piperazinyl]acetic acid
[1-(tert-Butoxycarbonyl)piperazin-4-yl]acetic acid
tert-Butyl 4-(carboxymethyl)piperazine-1-carboxylate
2-(4-(tert-butoxycarbonyl)piperazin-1-yl)acetic acid
[4-(tert-butoxycarbonyl)piperazin-1-yl]aceticacid2H2O
4-[(1,1-DIMETHYLETHOXY)CARBONYL]-1-PIPERAZINEACETIC ACID
2-(1-TERT-BUTOXYCARBONYL-PIPERAZIN-4-YL)-ACETIC ACID 2 H2O
1-Piperazineacetic acid, 4-[(1,1-diMethylethoxy)carbonyl]-
4-Carboxymethylpiperazine-1-carboxylic acid tert-butyl ester
2-(1-tert-Butoxycarbonyl-piperazin-4-yl)-acetic acid x 2 H2O
[4-(tert-butoxycarbonyl)piperazin-1-yl]acetic acid dihydrate
2-(1-TERT-BUTOXYCARBONYL-PIPERAZIN-4-YL)-ACETIC ACID 2-HYDRATE
[Molecular Formula]

C11H20N2O4
[MDL Number]

MFCD03410262
[MOL File]

156478-71-6.mol
[Molecular Weight]

244.29
Chemical PropertiesBack Directory
[Boiling point ]

365.5±37.0 °C(Predicted)
[density ]

1.174
[storage temp. ]

Keep in dark place,Sealed in dry,Room Temperature
[form ]

Solid
[pka]

2.40±0.10(Predicted)
[color ]

Off-white to gray
[InChI]

InChI=1S/C11H20N2O4/c1-11(2,3)17-10(16)13-6-4-12(5-7-13)8-9(14)15/h4-8H2,1-3H3,(H,14,15)
[InChIKey]

WZBHMXRBXXCEDD-UHFFFAOYSA-N
[SMILES]

N1(CC(O)=O)CCN(C(OC(C)(C)C)=O)CC1
Safety DataBack Directory
[Symbol(GHS) ]

Exclamation Mark (GHS07)
GHS07
[Signal word ]

Warning
[Hazard statements ]

H302-H315-H319-H332-H335
[Precautionary statements ]

P261-P280-P305+P351+P338
[Hazard Codes ]

Xi
[WGK Germany ]

3
[HazardClass ]

IRRITANT
[HS Code ]

2933599590
Hazard InformationBack Directory
[Uses]

1-Boc-4-carboxymethyl piperazine is a PROTAC linker. 1-Boc-4-carboxymethyl piperazine can be used in the synthesis of PROTACs (e.g. PROTAC IRAK4 degrader-12 (HY-168586))[1].
[Synthesis]

1-Boc-4-ethoxycarbonylmethylpiperazine

209667-59-4

4-Boc-1-piperazineacetic acid

156478-71-6

b) General procedure for the synthesis of 2-(4-(tert-butoxycarbonyl)piperazin-1-yl)acetic acid: to a solution of tert-butyl 4-(2-ethoxy-2-oxoethyl)piperazine-1-carboxylate (1.5 g, 5.51 mmol) in methanol (10 ml) was added an aqueous solution of sodium hydroxide (0.8 g, 22.0 mmol, 4 equiv). The reaction mixture was stirred at room temperature for 2 hours. Subsequently, the mixture was concentrated and extracted according to the method of Intermediate Example 5 (c). The solvent was removed by distillation to give the target product in 76% (1 g) yield. The product was characterized by LC-MS (ESI): calculated mass: 244.29; observed mass: 145.1 [M-Boc + H]+ (retention time: 0.102 min).

[References]

[1] Ling, et al. Preparation method for naphthoisoxazole compound. WO2024199146A1.WIPO, 2024-10-03.
Spectrum DetailBack Directory
[Spectrum Detail]

4-Boc-1-piperazineacetic acid(156478-71-6)1HNMR
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