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172695-22-6

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172695-22-6 Usage

Description

3-N-BOC-(S)-AMINO BUTYRONITRILE, also known as (S)-tert-Butyl (1-Cyanopropan-2-yl)carbamate, is an organic compound that serves as a crucial intermediate in the synthesis of various biologically active molecules. It is characterized by its unique structure, which includes a cyano group and a tert-butyl carbamate group, making it a versatile building block in the field of medicinal chemistry.

Uses

Used in Pharmaceutical Industry:
3-N-BOC-(S)-AMINO BUTYRONITRILE is used as an intermediate for the synthesis of spermidine analogs of 15-deoxyspergualin, which possess immunosuppressive activities. These analogs have potential applications in the development of novel therapeutics for autoimmune diseases and transplantation medicine, where immunosuppression is a critical factor.
In the synthesis of these analogs, 3-N-BOC-(S)-AMINO BUTYRONITRILE plays a vital role in constructing the core structure of the molecule, which is essential for its biological activity. The compound's reactivity and functional groups allow for further chemical modifications and optimizations, leading to the development of more potent and selective immunosuppressive agents.
Additionally, the compound may also find applications in other areas of drug discovery, such as the synthesis of other bioactive molecules with potential therapeutic benefits. Its unique structure and reactivity make it a valuable tool for medicinal chemists in their quest to develop new and effective treatments for various diseases and conditions.

Check Digit Verification of cas no

The CAS Registry Mumber 172695-22-6 includes 9 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 6 digits, 1,7,2,6,9 and 5 respectively; the second part has 2 digits, 2 and 2 respectively.
Calculate Digit Verification of CAS Registry Number 172695-22:
(8*1)+(7*7)+(6*2)+(5*6)+(4*9)+(3*5)+(2*2)+(1*2)=156
156 % 10 = 6
So 172695-22-6 is a valid CAS Registry Number.
InChI:InChI=1/C9H16N2O2/c1-7(5-6-10)11-8(12)13-9(2,3)4/h7H,5H2,1-4H3,(H,11,12)/t7-/m0/s1

172695-22-6SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 17, 2017

Revision Date: Aug 17, 2017

1.Identification

1.1 GHS Product identifier

Product name 3-N-BOC-(S)-AMINO BUTYRONITRILE

1.2 Other means of identification

Product number -
Other names (S)-3-{[(benzyloxy)carbonyl]amino}butanoic acid

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:172695-22-6 SDS

172695-22-6Downstream Products

172695-22-6Relevant articles and documents

HETEROCYCLIC GLP-1 AGONISTS

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Page/Page column 139; 146-147, (2021/08/14)

This disclosure relates to GLP-1 agonists of Formula (I) : including pharmaceutically acceptable salts and solvates thereof, and pharmaceutical compositions including the same.

Synthesis and evaluation of chiral β-amino acid-based low-molecular-weight organogelators possessing a methyl/trifluoromethyl side chain

Kodama, Koichi,Kawamata, Ryuta,Hirose, Takuji

supporting information, p. 2882 - 2887 (2019/02/17)

The synthesis and gelation properties of chiral β-amino acid-based low-molecular-weight organogelators, possessing methyl/trifluoromethyl side chains, are reported. The structure of the side chain and chirality were found to be important parameters affecting the gelation ability. The pure enantiomer of the trifluoromethylated β-amino acid displayed good gelation properties due to the formation of fibrillar networks, driven by enhanced amide hydrogen bonding. An investigation of the effects of the alkyl chain length showed that longer alkyl chain improved the gelation ability, yet the same supramolecular structure was observed in all, as well as an odd-even effect in both the melting points and Tg values.

Synthetic and theoretical investigation on the one-pot halogenation of β-amino alcohols and nucleophilic ring opening of aziridinium ions

Chen, Yunwei,Sun, Xiang,Wu, Ningjie,Li, Jingbai,Jin, Shengnan,Zhong, Yongliang,Liu, Zirui,Rogachev, Andrey,Chong, Hyun-Soon

, p. 920 - 939 (2016/01/15)

Aziridinium ions are useful reactive intermediates for the synthesis of enantiomerically enriched building blocks. However, N,N-dialkyl aziridinium ions are relatively underutilized in the synthesis of optically active molecules as compared to other three

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