Benzyl (3-chloropropyl)carbamate

Base Information

• Chemical Name: Benzyl (3-chloropropyl)carbamate
• CAS No.: 53602-19-0
• Molecular Formula: C11H14ClNO2
• Molecular Weight: 227.691
• DSSTox Substance ID: DTXSID30599336
• Wikidata: Q82495211
• Mol file: 53602-19-0.mol

Synonyms:benzyl N-(3-chloropropyl)carbamate;Benzyl (3-chloropropyl)carbamate;53602-19-0;SCHEMBL7332721;DTXSID30599336;DB-429446;EN300-129077

Chemical Property of Benzyl (3-chloropropyl)carbamate

Chemical Property:

• XLogP3: 2.4
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 227.0713064
• Heavy Atom Count: 15
• Complexity: 181

Purity/Quality:

95% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC=C(C=C1)COC(=O)NCCCCl

Technology Process of Benzyl (3-chloropropyl)carbamate

There total 5 articles about Benzyl (3-chloropropyl)carbamate 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: 100.0%

3-chloropropylamine hydrochloride (6276-54-6) + benzyl chloroformate (501-53-1,94274-21-2) → 1-[(benzyloxycarbonyl)amino]-3-chloropropane (53602-19-0)

Guidance literature:

With sodium hydroxide; In water; at 0 - 25 ℃; for 24h;

DOI:10.1002/anie.201812925

Reference yield: 56.0%

bis(trichloromethyl) carbonate (32315-10-9) + N-benzhydryl azetidine (107128-00-7) + benzyl alcohol (100-51-6,185532-71-2) → 1-[(benzyloxycarbonyl)amino]-3-chloropropane (53602-19-0)

Guidance literature:

bis(trichloromethyl) carbonate; N-benzhydryl azetidine; In dichloromethane; at 0 - 20 ℃;

benzyl alcohol; With dmap; triethylamine; In dichloromethane; for 48h; Reflux;

DOI:10.1016/j.tetlet.2015.10.036

Reference yield:

(R)-2-(benzyloxycarbonylamino)-3-mercapto-3-methylbutanoic acid (92613-96-2) + di-tert-butyl dicarbonate (24424-99-5) + 3-chloropropylamine hydrochloride (6276-54-6) → 2-(S)-Benzyloxycarbonylamine-3-[3-butyloxycarbonyl-amino)propylthio]-3-methylbutanoic acid + 1-[(benzyloxycarbonyl)amino]-3-chloropropane (53602-19-0)

Guidance literature:

In sodium hydroxide; ethanol; tert-butyl alcohol;

upstream raw materials:

3-[(N-benzyloxycarbonyl)amino]propanol

benzyl chloroformate

(R)-2-(benzyloxycarbonylamino)-3-mercapto-3-methylbutanoic acid

di-tert-butyl dicarbonate

Downstream raw materials:

3-[(3-benzyloxycarbonylamino)propylthio]propyl (methyl 2,4-di-O-acetyl-3-O-benzyl-β-L-idopyranosyluronate)-(1→4)-O-6-O-acetyl-2-azido-3-benzyl-2-deoxy-α-D-glucopyranoside

3-[(3-benzyloxycarbonylamino)propylthio]propyl 2,3,4,6-tetra-O-acetyl-α-D-glucopyranoside

3-[(3-benzyloxycarbonylamino)propylthio]propyl 6-O-acetyl-2-azido-3-O-benzyl-2-deoxy-α-D-glucopyranoside

3-[(3-benzyloxycarbonylamino)propylthio]propyl 2-azido-3-O-benzyl-4,6-O-benzylidene-2-deoxy-α-D-glucopyranoside

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