Boc-ala-pro-OH

Base Information

• Chemical Name: Boc-ala-pro-OH
• CAS No.: 33300-72-0
• Molecular Formula: C13H22N2O5
• Molecular Weight: 286.328
• DSSTox Substance ID: DTXSID80474543
• Nikkaji Number: J227.471J
• Wikidata: Q82304620
• Mol file: 33300-72-0.mol

Synonyms:BOC-ALA-PRO-OH;33300-72-0;(S)-1-((S)-2-((tert-Butoxycarbonyl)amino)propanoyl)pyrrolidine-2-carboxylic acid;(2S)-1-[(2S)-2-[(2-methylpropan-2-yl)oxycarbonylamino]propanoyl]pyrrolidine-2-carboxylic Acid;Boc-Ala-Pro;t-butoxycarbonylalanylproline;Boc-Ala-Pro-OH, AldrichCPR;SCHEMBL6242739;DTXSID80474543;QGJDXUIYIUGQGO-IUCAKERBSA-N;MFCD00134853;AKOS027340119;N-t-butyloxycarbonyl-L-alanyl-L-proline;DS-12426;CS-0158180;(S)-1-((S)-2-(tert-butoxycarbonylamino)propanoyl)pyrrolidine-2-carboxylic acid

Chemical Property of Boc-ala-pro-OH

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.511
• Boiling Point: 491.451°C at 760 mmHg
• Flash Point: 251.021°C
• Density: 1.218g/cm³
• Storage Temp.: -15°C
• XLogP3: 1.2
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 5
• Exact Mass: 286.15287181
• Heavy Atom Count: 20
• Complexity: 402

Purity/Quality:

97% ^*data from raw suppliers

Boc-Ala-Pro-OH ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(=O)N1CCCC1C(=O)O)NC(=O)OC(C)(C)C
• Isomeric SMILES: C[C@@H](C(=O)N1CCC[C@H]1C(=O)O)NC(=O)OC(C)(C)C

Technology Process of Boc-ala-pro-OH

There total 1 articles about Boc-ala-pro-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: 82.0%

(S)-1-((S)-2-tert-Butoxycarbonylamino-propionyl)-pyrrolidine-2-carboxylic acid 4-phenylacetoxy-benzyl ester (330970-69-9) → (4-hydroxyphenyl)methanol (623-05-2) + N-tert-butoxycarbonyl-L-alanyl-L-proline (33300-72-0)

Guidance literature:

With penicillin G acylase; In methanol; phosphate buffer; pH=7; Enzymatic reaction;

DOI:10.1002/1521-3773(20010119)40:2<369::AID-ANIE369>3.0.CO;2-7

Reference yield: 91.0%

diethyl 2,5-bis(4-aminophenylamino)terephthalate (1246291-63-3) + N-tert-butoxycarbonyl-L-alanyl-L-proline (33300-72-0) → C50H66N8O12 (1246291-64-4)

Guidance literature:

diethyl 2,5-bis(4-aminophenylamino)terephthalate; N-tert-butoxycarbonyl-L-alanyl-L-proline; With 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride; In dichloromethane; at 0 ℃; for 0.333333h; Inert atmosphere;

With benzotriazol-1-ol; In dichloromethane; at 0 - 20 ℃; for 18.0833h; Inert atmosphere;

DOI:10.1016/j.tetlet.2010.06.101

Reference yield: 88.7%

benzyl (2S)-2-pyrrolidinecarboxylate hydrochloride (16652-71-4) + N-tert-butoxycarbonyl-L-alanyl-L-proline (33300-72-0) → N-t-butyloxycarbonyl-L-alanyl-L-prolyl-L-proline benzyl ester (54046-55-8)

Guidance literature:

With benzotriazol-1-ol; In dichloromethane; ethyl acetate;

upstream raw materials:

(S)-1-((S)-2-tert-Butoxycarbonylamino-propionyl)-pyrrolidine-2-carboxylic acid 4-phenylacetoxy-benzyl ester

Downstream raw materials:

N-t-butoxycarbonyl-L-alanyl-L-prolyl-α-aza-alanine benzyl ester

N-t-butoxycarbonyl-L-alanyl-L-prolyl-α-azavaline benzyl ester

N-t-butoxycarbonyl-L-alanyl-L-prolyl-α-azanorvaline benzyl ester

N-t-butoxycarbonyl-L-alanyl-L-prolyl-α-aza-alanyl-L-phenylalanine benzyl ester

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