Boc-Ala-NH2

Base Information

• Chemical Name: Boc-Ala-NH2
• CAS No.: 85642-13-3
• Molecular Formula: C₈H₁₆N₂O₃
• Molecular Weight: 188.227
• Hs Code.: 2924199090
• DSSTox Substance ID: DTXSID40426725
• Nikkaji Number: J837.347G
• Wikidata: Q72447750
• Mol file: 85642-13-3.mol

Synonyms:Boc-Ala-NH2;85642-13-3;tert-butyl N-[(2S)-1-amino-1-oxopropan-2-yl]carbamate;tert-butyl N-[(1S)-1-carbamoylethyl]carbamate;(S)-tert-Butyl (1-amino-1-oxopropan-2-yl)carbamate;MFCD03701447;N-t-Butyloxycarbonyl-L-alanine amide;(S)-Boc-alaninamide;SCHEMBL1888284;DTXSID40426725;GZKKSKKIABUUCX-YFKPBYRVSA-N;N-(Tert-Butoxycarbonyl)alaninamide;N-tert-Butoxycarbonyl-L-alanineamide;AKOS016842884;DS-13418;CS-0008349;EN300-133933;I10616;(S)-tert-butyl 1-amino-1-oxopropan-2-ylcarbamate;A851294;((S)-1-carbamoyl-ethyl)carbamic acid tert-butyl ester;((S)-1-carbamoylethyl)carbamic acid tert-butyl ester;tert-butyl (1S)-2-amino-1-methyl-2-oxoethylcarbamate;tert-Butyl (S)-(1-amino-1-oxopropan-2-yl)carbamate;tert-butyl(1S)-2-amino-1-methyl-2-oxoethylcarbamate;tert-Butyl [(1S)-2-amino-1-methyl-2-oxoethyl]carbamate;tert-Butyl[(1S)-2-amino-1-methyl-2-oxoethyl]carbamate;Carbamic acid, [(1S)-2-amino-1-methyl-2-oxoethyl]-, 1,1-dimethylethylester

Chemical Property of Boc-Ala-NH2

Chemical Property:

• Vapor Pressure: 7.19E-05mmHg at 25°C
• Melting Point: 124-125 °C
• Refractive Index: 1.463
• Boiling Point: 343.1 °C at 760 mmHg
• PKA: 11.38±0.46(Predicted)
• Flash Point: 161.3 °C
• PSA: 81.42000
• Density: 1.081 g/cm³
• LogP: 1.47610
• Storage Temp.: Sealed in dry,Room Temperature
• Water Solubility.: Soluble in water or 1% acetic acid.
• XLogP3: -0.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 4
• Exact Mass: 188.11609238
• Heavy Atom Count: 13
• Complexity: 208

Purity/Quality:

99.9% ^*data from raw suppliers

BOC-ALA-NH2 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C(=O)N)NC(=O)OC(C)(C)C
• Isomeric SMILES: C[C@@H](C(=O)N)NC(=O)OC(C)(C)C
• Uses: N-Boc-L-alaninamide is used as pharmaceutical intermediate.

Technology Process of Boc-Ala-NH2

There total 6 articles about Boc-Ala-NH2 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: 41.0%

C28H26F6NO4P + C13H16N4O → C21H31N3O4 + tert-butyl (1S)-2-amino-1-methyl-2-oxoethylcarbamate (78981-25-6,81587-17-9,85642-13-3)

Guidance literature:

In tetrahydrofuran; water; at 20 ℃; for 72h; stereoselective reaction;

DOI:10.1002/anie.201916517

Reference yield: 27.0%

C26H26Cl2NO4P + C13H16N4O → C21H31N3O4 + tert-butyl (1S)-2-amino-1-methyl-2-oxoethylcarbamate (78981-25-6,81587-17-9,85642-13-3)

Guidance literature:

In tetrahydrofuran; water; at 20 ℃; for 24h; stereoselective reaction;

DOI:10.1002/anie.201916517

Reference yield:

C27H30NO5P + C13H16N4O → C21H31N3O4 + C21H31N3O4 + tert-butyl (1S)-2-amino-1-methyl-2-oxoethylcarbamate (78981-25-6,81587-17-9,85642-13-3)

Guidance literature:

In tetrahydrofuran; water; at 20 ℃; for 24h; stereoselective reaction;

DOI:10.1002/anie.201916517

upstream raw materials:

L-N-Boc-Ala

Downstream raw materials:

N-(tert-Butyloxycarbonyl)-DL-alaninnitril

tert-butyl [2-amino-2-(hydroxyimino-1-methylethyl)]carbamate

N-(tert-Butyloxycarbonyl)-DL-thioalaninamid

tert-butyl 1-(4-oxo-3-phenyl-3,4-dihydroquinazolin-2-yl)ethylcarbamate

Refernces