(s)-3-Amino-2-cbz-amino-propionic acid tert-butyl ester

Base Information

• Chemical Name: (s)-3-Amino-2-cbz-amino-propionic acid tert-butyl ester
• CAS No.: 77215-55-5
• Molecular Formula: C15H22N2O4
• Molecular Weight: 294.351
• Hs Code.: 2924299090
• European Community (EC) Number: 689-799-0
• DSSTox Substance ID: DTXSID90445183
• Wikidata: Q82263533
• Mol file: 77215-55-5.mol

Synonyms:77215-55-5;(s)-3-amino-2-cbz-amino-propionic acid tert-butyl ester;(S)-tert-Butyl 3-amino-2-(((benzyloxy)carbonyl)amino)propanoate;tert-butyl (2S)-3-amino-2-(phenylmethoxycarbonylamino)propanoate;tert-Butyl (S)-3-amino-2-(((benzyloxy)carbonyl)amino)propanoate;tert-Butyl (2S)-3-amino-2-(benzyloxycarbonylamino)propanoate;MFCD09991588;Z-Dap-OtBu;SCHEMBL2955816;(S)-3-Amino-2-Cbz-aminopropionic acid tert-butyl ester;DTXSID90445183;GUTOOFAUODQZRP-LBPRGKRZSA-N;BBL102367;STL556168;AKOS017342950;DS-11777;A9778;CS-0046997;t-butyl(2s)-n-benzyloxycarbonyl-2,3-diamino-propionate;tert-butyl 3-amino-N-[(benzyloxy)carbonyl]-L-alaninate;tert-butyl(s)-3-amino-2-benzyloxycarbonylaminopropionate;tert-butyl (2S)-2-benzyloxycarbonylamino-3-amino-propionate;tert-butyl (2s)-2-benzyloxycarbonylamino-3-aminopropionate;tert-butyl (S)-3-amino-2-benzyloxycarbonylaminopropionate;(S)-tert-Butyl3-amino-2-(((benzyloxy)carbonyl)amino)propanoate;tert-butyl (2S)-3-amino-2-[benzyloxycarbonylamino]propionate;(1,1-dimethylethyl) 3-amino-N-[(phenylmethoxy)carbonyl]alaninate;(1,1-dimethylethyl)-3-amino-N-[(phenylmethoxy)carbonyl]alaninate;(1,1-dimethylethyl)3-amino-N-[(phenylmethoxy)carbonyl]alaninate;TERT-BUTYL (2S)-3-AMINO-2-BENZYLOXYCARBONYLAMINOPROPIONATE;(1,1-dimethyl ethyl) 3-amino-N-[(phenylmethoxy)carbonyl]-L-alaninate;(2S)-3-amino-2-benzyloxycarbonylamino-propionic acid tert-butyl ester;(S)-3-AMINO-2-BENZYLOXYCARBONYLAMINO-PROPIONIC ACID TERT-BUTYL ESTER

Chemical Property of (s)-3-Amino-2-cbz-amino-propionic acid tert-butyl ester

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Refractive Index: 1.524
• Boiling Point: 444.312 °C at 760 mmHg
• Flash Point: 222.512 °C
• PSA: 90.65000
• Density: 1.142 g/cm³
• LogP: 2.67300
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 1.4
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 8
• Exact Mass: 294.15795719
• Heavy Atom Count: 21
• Complexity: 346

Purity/Quality:

97% ^*data from raw suppliers

(S)-tert-Butyl3-amino-2-(((benzyloxy)carbonyl)amino)propanoate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)OC(=O)C(CN)NC(=O)OCC1=CC=CC=C1
• Isomeric SMILES: CC(C)(C)OC(=O)[C@H](CN)NC(=O)OCC1=CC=CC=C1

Technology Process of (s)-3-Amino-2-cbz-amino-propionic acid tert-butyl ester

There total 5 articles about (s)-3-Amino-2-cbz-amino-propionic acid tert-butyl ester 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: 75.0%

(S)-3-amino-2-(((benzyloxy)carbonyl)amino)propanoic acid (35761-26-3) + isobutene (115-11-7,15220-85-6) → tert-butyl 2-N-carbobenzoxy-(S)-2,3-diaminopropionate (77215-55-5)

Guidance literature:

With sulfuric acid; In 1,4-dioxane; for 60h; Ambient temperature;

DOI:10.1002/(SICI)1099-1344(199804)41:4<273::AID-JLCR76>3.0.CO;2-1

Reference yield:

conc. H2 SO4 + water (7732-18-5) + (S)-3-amino-2-(((benzyloxy)carbonyl)amino)propanoic acid (35761-26-3) + isobutene (115-11-7,15220-85-6) → tert-butyl 2-N-carbobenzoxy-(S)-2,3-diaminopropionate (77215-55-5)

Guidance literature:

With sodium hydrogencarbonate; In 1,4-dioxane; diethyl ether;

Reference yield:

acetic acid tert-butyl ester (540-88-5) + (S)-3-amino-2-(((benzyloxy)carbonyl)amino)propanoic acid (35761-26-3) → tert-butyl 2-N-carbobenzoxy-(S)-2,3-diaminopropionate (77215-55-5)

Guidance literature:

With sulfuric acid; In diethyl ether; chloroform; at 20 ℃; for 4h;

upstream raw materials:

(S)-2,3-diaminopropanoic acid hydrochloride

benzyl chloroformate

isobutene

(S)-3-amino-2-(((benzyloxy)carbonyl)amino)propanoic acid

Downstream raw materials:

N₂-Z-N₃-sulfamoyl-amino-L-alanine t-butyl ester

N₂-Z-N₃-(N,N-dimethylsulfamoyl)-amino-L-alanine t-butyl ester

4-{2-[6-((S)-2-Benzyloxycarbonylamino-2-tert-butoxycarbonyl-ethylcarbamoyl)-1-oxo-1,3-dihydro-isoindol-2-yl]-ethyl}-piperidine-1-carboxylic acid tert-butyl ester

4-{2-[2-((S)-2-Benzyloxycarbonylamino-2-tert-butoxycarbonyl-ethylcarbamoyl)-4-oxo-7,8-dihydro-4H,6H-1,5,8a-triaza-azulen-5-yl]-ethyl}-piperidine-1-carboxylic acid tert-butyl ester

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