Boc-(S)-2-amino-3-(3-indolyl)-propionitrile

Base Information

• Chemical Name: Boc-(S)-2-amino-3-(3-indolyl)-propionitrile
• CAS No.: 138165-79-4
• Molecular Formula: C₁₆H₁₉N₃O₂
• Molecular Weight: 285.346
• Hs Code.: 2933990090
• DSSTox Substance ID: DTXSID40373200
• Wikidata: Q82161365
• Mol file: 138165-79-4.mol

Synonyms:138165-79-4;BOC-(S)-2-AMINO-3-(3-INDOLYL)-PROPIONITRILE;(S)-tert-Butyl (1-cyano-2-(1H-indol-3-yl)ethyl)carbamate;tert-butyl N-[(1S)-1-cyano-2-(1H-indol-3-yl)ethyl]carbamate;(S)-BOC-2-AMINO-3-(3-INDOLYL)-PROPIONITRILE;Boc-(S)-2-amino-3-(3-indolyl)propionitrile;SCHEMBL7412440;DTXSID40373200;MNHHXZGOLWLBJG-LBPRGKRZSA-N;MFCD04112675;AKOS022181030;(S)-tert-butyl 1-cyano-2-(1H-indol-3-yl)ethylcarbamate;(S)-tert-Butyl(1-cyano-2-(1H-indol-3-yl)ethyl)carbamate;tert-Butyl [(1S)-1-cyano-2-(1H-indol-3-yl)ethyl]carbamate;Carbamic acid,[1-cyano-2-(1H-indol-3-yl)ethyl]-,1,1-dimethylethyl ester,(S)-(9ci)

Chemical Property of Boc-(S)-2-amino-3-(3-indolyl)-propionitrile

Chemical Property:

• PSA: 77.91000
• LogP: 3.51818
• Storage Temp.: Store at 0-5°C
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 5
• Exact Mass: 285.147726857
• Heavy Atom Count: 21
• Complexity: 421

Purity/Quality:

99% ^*data from raw suppliers

Boc-(S)-2-amino-3-(3-indolyl)propionitrile ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)NC(CC1=CNC2=CC=CC=C21)C#N
• Isomeric SMILES: CC(C)(C)OC(=O)N[C@@H](CC1=CNC2=CC=CC=C21)C#N

Technology Process of Boc-(S)-2-amino-3-(3-indolyl)-propionitrile

There total 3 articles about Boc-(S)-2-amino-3-(3-indolyl)-propionitrile which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield:

chlorosulfonyl methylcarbamate (1314911-34-6) + Boc-Trp-NH2 (62549-92-2) → N-BOC-(L)-tryptophanonitrile (138165-79-4)

Guidance literature:

With triethylamine; In tetrahydrofuran; benzene;

Reference yield:

Boc-Trp-NH2 (62549-92-2) → N-BOC-(L)-tryptophanonitrile (138165-79-4)

Guidance literature:

With triethylamine; trifluoroacetic anhydride; In tetrahydrofuran; at 0 ℃;

DOI:10.1016/j.bmcl.2009.07.114

Reference yield:

→ N-BOC-(L)-tryptophanonitrile (138165-79-4)

Guidance literature:

upstream raw materials:

chlorosulfonyl methylcarbamate

Boc-Trp-NH₂

Refernces

• 1、 -. "Endothelin receptor antagonists". . . Retrieved 2008/06/13.