tert-Butyl 3-(((benzyloxy)carbonyl)amino)propanoate

Base Information

• Chemical Name: tert-Butyl 3-(((benzyloxy)carbonyl)amino)propanoate
• CAS No.: 18605-26-0
• Molecular Formula: C15H21NO4
• Molecular Weight: 279.336
• Hs Code.: 2924299090
• DSSTox Substance ID: DTXSID10404555
• Nikkaji Number: J898.325I
• Wikidata: Q72515921
• Mol file: 18605-26-0.mol

Synonyms:18605-26-0;tert-Butyl 3-(((benzyloxy)carbonyl)amino)propanoate;tert-butyl 3-(phenylmethoxycarbonylamino)propanoate;N-CBZ-BETA-ALANINE TERT-BUTYL ESTER;N-[(Phenylmethoxy)carbonyl]-beta-alanine tert-butyl ester;TERT-BUTYL 3-{[(BENZYLOXY)CARBONYL]AMINO}PROPANOATE;SCHEMBL6049741;DTXSID10404555;MFCD03837779;AKOS015909970;DS-3737;CS-0318385;FT-0697885;10.14272/RLEOEDXSMUQCMZ-UHFFFAOYSA-N.1;A851275;tert-Butyl3-(((benzyloxy)carbonyl)amino)propanoate;doi:10.14272/RLEOEDXSMUQCMZ-UHFFFAOYSA-N.1

Chemical Property of tert-Butyl 3-(((benzyloxy)carbonyl)amino)propanoate

Chemical Property:

• Boiling Point: 409.3 °C at 760 mmHg
• Flash Point: 201.4 °C
• PSA: 68.12000
• Density: 1.101 g/cm³
• LogP: 2.84900
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 8
• Exact Mass: 279.14705815
• Heavy Atom Count: 20
• Complexity: 316

Purity/Quality:

97% ^*data from raw suppliers

tert-Butyl3-(((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)CCNC(=O)OCC1=CC=CC=C1

Technology Process of tert-Butyl 3-(((benzyloxy)carbonyl)amino)propanoate

There total 9 articles about tert-Butyl 3-(((benzyloxy)carbonyl)amino)propanoate 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: 89.0%

3-(benzyloxycarbonylamino)propanoic acid (2304-94-1) + tert-butyl alcohol (75-65-0) → 3-(((benzyloxy)carbonyl)amino)propionic tert-butyl ester (18605-26-0)

Guidance literature:

With dicyclohexyl-carbodiimide; In dichloromethane; at 20 ℃; for 3h;

Reference yield: 35.0%

acetic acid tert-butyl ester (540-88-5) + benzyl N-(1H-benzotriazol-1-ylmethyl)carbamate (125453-11-4) → 3-(((benzyloxy)carbonyl)amino)propionic tert-butyl ester (18605-26-0)

Guidance literature:

With lithium diisopropyl amide; In tetrahydrofuran; at -78 - 0 ℃;

DOI:10.1021/jo0110810

Reference yield:

t-butyl bromide (507-19-7) + 3-(benzyloxycarbonylamino)propanoic acid (2304-94-1) → 3-(((benzyloxy)carbonyl)amino)propionic tert-butyl ester (18605-26-0)

Guidance literature:

With N-benzyl-N,N,N-triethylammonium chloride; In N,N-dimethyl acetamide; at 55 ℃;

DOI:10.1021/jm0155446

upstream raw materials:

3-(benzyloxycarbonylamino)propanoic acid

isobutene

tert-butyl alcohol

N,N-dimethylformamide di-tert-butyl acetal

Downstream raw materials:

tert-butyl 3-aminopropanoate

3-(benzyloxycarbonylamino)propanoic acid

tert-butyl 3-(benzylamino)propanoate

(S)-2-(2-tert-Butoxycarbonyl-ethylamino)-3-phenyl-propionic acid