172695-22-6

Basic information

• Product Name: 3-N-BOC-(S)-AMINO BUTYRONITRILE
• Synonyms: 3-N-BOC-(S)-AMINO BUTYRONITRILE;Carbamic acid, [(1S)-2-cyano-1-methylethyl]-, 1,1-dimethylethyl ester (9CI);tert-butyl [(1S)-2-cyano-1-Methylethyl]carbaMate;(S)-tert-butyl 1-cyanopropan-2-ylcarbaMate;tert-butyl (S)-(1-cyanopropan-2-yl) carbamate
• CAS NO: 172695-22-6
• Molecular Formula: C₉H₁₆N₂O₂
• Molecular Weight: 184.24
• Product Categories: N-BOC
• Mol File: 172695-22-6.mol
• Article Data: 14

Chemical Properties

• Melting Point: 69-71 °C(Solv: dichloromethane (75-09-2))
• Boiling Point: 309.5°C at 760 mmHg
• Flash Point: 141°C
• Appearance: /
• Density: 1.005g/cm³
• Vapor Pressure: 0.000635mmHg at 25°C
• Refractive Index: 1.447
• Storage Temp.: 2-8°C
• PKA: 11.72±0.46(Predicted)
• CAS DataBase Reference: 3-N-BOC-(S)-AMINO BUTYRONITRILE(CAS DataBase Reference)
• NIST Chemistry Reference: 3-N-BOC-(S)-AMINO BUTYRONITRILE(172695-22-6)
• EPA Substance Registry System: 3-N-BOC-(S)-AMINO BUTYRONITRILE(172695-22-6)

Safety Data

• Hazardous Substances Data: 172695-22-6(Hazardous Substances Data)

Usage

Uses

(S)-tert-Butyl (1-Cyanopropan-2-yl)carbamate is an intermediate used to synthesize spermidine analogs of 15-deoxyspergualin with immunosuppressive activities.

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

Upstream product

• 194156-55-3 tert-butyl 1-cyanopropan-2-ylcarbamate 
• 773837-37-9 sodium cyanide 
• 84765-24-2 (S)-O-(p-tolylsulfonyl)-N-(tert-butyloxycarbonyl)-1-hydroxy-2-aminopropane 
• 109208-68-6 Boc-Ala-O-COO-isoBu 
• 15761-38-3 L-N-Boc-Ala 
• 126301-16-4 (2S)-2-[(tert-butoxycarbonyl)amino]propyl methanesulfonate 
• 24424-99-5 di-tert-butyl dicarbonate 
• 79069-13-9 (S)-2-t-butoxycarbonylaminopropan-1-ol 
• 143-33-9 sodium cyanide 
• 13435-20-6 tetraethylammoniumcyanide 
• 161529-20-0 tert-butyl N-[(1S)-2-iodo-1-methylethyl]carbamate 

Downstream Products

• 176982-57-3 (3-amino-1(S)-methylpropyl)carbamic acid, 1,1-dimethylethyl ester 
• 6078-06-4 (S)-methyl 3-aminobutanoate 
• 106539-14-4 (S)-methyl 3-(tert-butyloxycarbonylamino)butyrate 
• 118173-26-5 (S)-3-tert-butoxycarbonylamino-butanal 
• 170367-79-0 [4-[[3-[[(1,1-dimethylethoxy)carbonyl]amino]butyl](phenylmethyl)amino]butyl]carbamic acid, 11-[[(1,1-dimethylethoxy)carbonyl]amino]-15,15-dimethyl-2,13-dioxo-14-oxa-3,4,12-triaza-11-hexadecen-1-yl ester (S) 
• 252353-89-2 [21-[[(1,1-dimethylethoxy)carbonyl]amino]-1,25,25-trimethyl-10,12,23-trioxo-4-(phenylmethyl)-24-oxa-4,9,13,20,22-pentaaza-21-hexacosen-1-yl]carbamic acid, 1,1-dimethylethyl ester (S) 
• 170367-77-8 2,2,6-trimethyl-4,15-dioxo-9-(phenylmethyl)-3,16-dioxa-5,9,14-triazaoxadecan-18-oic acid (S) 
• 252353-70-1 [3-[[4-(2,4-dioxo-3-oxazolidinyl)butyl](phynylmethyl)amino]-1-methylpropyl]carbamic acid, 1,1-dimethylethyl ester (S) 
• 170367-73-4 3-[(4-aminobutyl)(phenylmethyl)amino-1(S)-methylpropyl]carbamic acid, 1,1-dimethylethyl ester 
• 176982-59-5 3-[(3-cyanopropyl)(phenylmethyl)amino-1(S)-methylpropyl]carbamic acid, 1,1-dimethylethyl ester 
• 176982-58-4 [1(S)-methyl-3-[(phenylmethyl)amino]propyl]carbamic acid, 1,1-dimethylethyl ester 
• 932032-36-5 (S)-N¹²-(tert-butyloxycarbonyl)-N⁹-(o-nitrophenylsulfonyl)-1,12-diamino-4,9-diazatridecane 
• 932032-35-4 (S)-N⁵-(o-nitrophenylsulfonyl)-N⁸-(tert-butyloxycarbonyl)-8-amino-5-aza-1-iodononane 
• 875680-99-2 (S)-N¹-(o-nitrophenylsulfonyl)-N³-(tert-butyloxycarbonyl)-1,3-diaminobutane 

Relevant articles and documents

HETEROCYCLIC GLP-1 AGONISTS

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

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

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