BOC-BETA-CYANO-ALA-OH

Base Information

• Chemical Name: BOC-BETA-CYANO-ALA-OH
• CAS No.: 45159-34-0
• Molecular Formula: C9H14 N2 O4
• Molecular Weight: 214.221
• Hs Code.: 2926909090
• Mol file: 45159-34-0.mol

Synonyms:L-Alanine,3-cyano-N-[(1,1-dimethylethoxy)carbonyl]- (9CI)

Chemical Property of BOC-BETA-CYANO-ALA-OH

Chemical Property:

• Vapor Pressure: 8.04E-08mmHg at 25°C
• Melting Point: 80-81 °C
• Refractive Index: 1.479
• Boiling Point: 408.6oC at 760 mmHg
• PKA: 3.06±0.10(Predicted)
• Flash Point: 200.9oC
• PSA: 99.42000
• Density: 1.204g/cm3
• LogP: 1.26888
• Storage Temp.: -15°C

Purity/Quality:

98%Min ^*data from raw suppliers

Boc-β-cyano-l-alanine ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 43
• Safety Statements: 36/37

MSDS Files:

SDS file from LookChem

Useful:

• Uses: Boc-beta-cyano-l-alanine

Technology Process of BOC-BETA-CYANO-ALA-OH

There total 1 articles about BOC-BETA-CYANO-ALA-OH 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: 78.0%

N-tert-butyloxycarbonylasparagine (7536-55-2) → (2S)-2-[(tert-butoxycarbonyl)amino]-3-cyanopropanoic acid (45159-34-0)

Guidance literature:

With pyridine; dicyclohexyl-carbodiimide;

DOI:10.1021/jo970560p

Reference yield: 98.0%

(2S)-2-[(tert-butoxycarbonyl)amino]-3-cyanopropanoic acid (45159-34-0) + diazomethyl-trimethyl-silane (18107-18-1) → methyl (S)-2-((t-butoxycarbonyl)amino)-3-cyanopropanoate (147091-70-1)

Guidance literature:

In methanol; hexane; benzene; at 20 ℃; for 4h;

DOI:10.1021/jo702245z

Reference yield: 90.0%

(2S)-2-[(tert-butoxycarbonyl)amino]-3-cyanopropanoic acid (45159-34-0) + 3-amino-benzoic acid methyl ester hydrochloride (87360-24-5) → C17H21N3O5 (1425426-75-0)

Guidance literature:

With benzotriazol-1-ol; dicyclohexyl-carbodiimide; In N,N-dimethyl-formamide; at 20 ℃; for 72h;

DOI:10.1016/j.molstruc.2012.11.001

upstream raw materials:

N-tert-butyloxycarbonylasparagine

Downstream raw materials:

Boc-L-β-cyanoalanine-3,4,5-trichlorophenyl ester

(R)-((S)-2-tert-Butoxycarbonylamino-3-cyano-propionylamino)-(3,5-dihydroxy-4-methoxy-phenyl)-acetic acid tert-butyl ester

C₂₈H₄₁N₇O₇S₂

Nα-Boc-L-2,4-diaminobutyric acid tert-butyl ester hydrochloride

Refernces

• 1、 Jao, Shu-Chuan,Chen, Jessica,Yang, Kelvin,Li, Wen-Shan. "Design of potent inhibitors for Schistosoma japonica glutathione S-transferase". . p. 304 - 318. Retrieved 2007/10/03.
• 2、 Xue, Chu-Biao,Wityak, John,Sielecki, Thais M.,Pinto, Donald J.,Batt, Douglas G.,Cain, Gary A.,Sworin, Michael,Rockwell, Arlene L.,Roderick, John J.,Wang, Shuaige,Orwat, Michael J.,Frietze, William E.,Bostrom, Lori L.,Liu, Jie,Higley, C. Anne,Rankin, F. Wayne,Tobin, A. Ewa,Emmett, George,Lalka, George K.,Sze, Jean Y.,Di Meo, Susan V.,Mousa, Shaker A.,Thoolen, Martin J.,Racanelli, Adrienne L.,Hausner, Elizabeth A.,Reilly, Thomas M.,DeGrado, William F.,Wexler, Ruth R.,Olson, Richard E.. "Discovery of an orally active series of isoxazoline glycoprotein IIb/IIIa antagonists". . p. 2064 - 2084. Retrieved 2007/10/03.