Dibenzyl hexane-1,6-diyldicarbamate

Base Information

• Chemical Name: Dibenzyl hexane-1,6-diyldicarbamate
• CAS No.: 16644-57-8
• Molecular Formula: C22H28 N2 O4
• Molecular Weight: 384.475
• NSC Number: 95228
• DSSTox Substance ID: DTXSID30294218
• Nikkaji Number: J1.407.551H
• Wikidata: Q82033388
• ChEMBL ID: CHEMBL1886474
• Mol file: 16644-57-8.mol

Synonyms:MLS002695285;16644-57-8;NSC95228;CHEMBL1886474;SCHEMBL15346534;DTXSID30294218;KQMNHEJQHXLCPU-UHFFFAOYSA-N;HMS3092C21;dibenzyl hexane-1,6-diyldicarbamate;NSC-95228;SMR001561192

Chemical Property of Dibenzyl hexane-1,6-diyldicarbamate

Chemical Property:

• Vapor Pressure: 2.42E-13mmHg at 25°C
• Boiling Point: 577.6°C at 760 mmHg
• Flash Point: 303.1°C
• Density: 1.132g/cm³
• XLogP3: 4.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 13
• Exact Mass: 384.20490738
• Heavy Atom Count: 28
• Complexity: 392

Purity/Quality:

85.0-99.8% ^*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)NCCCCCCNC(=O)OCC2=CC=CC=C2

Technology Process of Dibenzyl hexane-1,6-diyldicarbamate

There total 15 articles about Dibenzyl hexane-1,6-diyldicarbamate 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: 96.4%

→ N1,N8-Dicarbobenzoxyhexanediamine (16644-57-8)

Guidance literature:

With urea; at 120 ℃; for 4h;

at 220 ℃; for 6h; under 7600.51 Torr;

Reference yield: 94.0%

benzyl N-(3-bromopropyl)carbamate (39945-54-5) → N1,N8-Dicarbobenzoxyhexanediamine (16644-57-8)

Guidance literature:

With manganese; (1,2-dimethoxyethane)dichloronickel(II); 4,4',4-tri-tert-butyl-2,2':6',2-terpyridine; In N,N-dimethyl-formamide; at 40 ℃; for 17h;

DOI:10.1039/c0cc01716g

Reference yield: 71.0%

iodobenzene (591-50-4) + benzyl N-(3-bromopropyl)carbamate (39945-54-5) → biphenyl (92-52-4,1594-86-1) + N1,N8-Dicarbobenzoxyhexanediamine (16644-57-8) + N-benzyloxycarbonyloxy-3-phenylpropylamine (302569-84-2)

Guidance literature:

With pyridine; 1,3-dimethyl-3,4,5,6-tetrahydro-2(1H)-pyrimidinone; manganese; H₇I₂NiO_3.5; o-phenylenebis(diphenylphosphine); 4,4'-di-tert-butyl-2,2'-bipyridine; at 60 ℃; for 14h; Inert atmosphere;

DOI:10.1021/ja9093956

upstream raw materials:

4-(benzyloxycarbonylamino)butyric acid

benzyl alcohol

Hexamethylene diisocyanate

1,6-Hexanediamine

Downstream raw materials:

monobenzyloxycarbonyl hexamethylenediamine hydrochloride

N-<3-(1-uracilyl)propyl>-N'-carbobenzoxyhexamethylenediamine hydrobromide

N-<2-(1-uracilyl)ethyl>-N'-carbobenzoxyhexamethylenediamine hydrobromide