Benzyl cyclohepta-1,3-dien-1-ylcarbamate

Base Information

Chemical Name:Benzyl cyclohepta-1,3-dien-1-ylcarbamate
CAS No.:113340-15-1
Molecular Formula:C15H17NO2
Molecular Weight:243.305
Hs Code.:
DSSTox Substance ID:DTXSID70553891
Mol file:113340-15-1.mol

Synonyms:113340-15-1;Benzyl cyclohepta-1,3-dien-1-ylcarbamate;DTXSID70553891

Suppliers and Price of Benzyl cyclohepta-1,3-dien-1-ylcarbamate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
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price

Total 1 raw suppliers

Chemical Property of Benzyl cyclohepta-1,3-dien-1-ylcarbamate

Chemical Property:

XLogP3:3.3
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:4
Exact Mass:243.125928785
Heavy Atom Count:18
Complexity:327

Purity/Quality:: 99.90% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CC=CC=C(C1)NC(=O)OCC2=CC=CC=C2

Technology Process of Benzyl cyclohepta-1,3-dien-1-ylcarbamate

There total 7 articles about Benzyl cyclohepta-1,3-dien-1-ylcarbamate 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: 64.0%

: 113340-08-2,146309-16-2
cis-1-(amino)-4-acetoxycyclohept-2-ene

: 113340-15-1
1-(amino)cyclohepta-2,4-diene

Guidance literature:: With tris(dibenzylideneacetone)dipalladium⁽⁰⁾ chloroform complex; triethylamine; triphenylphosphine; In tetrahydrofuran; for 14h; Heating;
DOI:10.1016/S0040-4020(01)80313-6

Reference yield:

: 876938-53-3
Cyclohepta-1,3-diene

: 113340-15-1
1-(amino)cyclohepta-2,4-diene

Guidance literature:: Multi-step reaction with 6 steps

1: 90 percent / Me₄NIO₄ / CH₂Cl₂ / 1.5 h / Ambient temperature

2: 90 percent / 45percent HBr(AcOH) / 2 h / Ambient temperature

3: 64 percent / Zn, AcOH / 4 h / 50 - 60 °C

4: 1.) NaH / 1.) Et₂O, r. t., 2 h, 2.) r. t., 2 h

5: 93 percent / pyridine / CH₂Cl₂ / 2 h / 0 °C

6: 64 percent / NEt₃, Ph₃P, Pd₂(dba)3*CHCl₃ / tetrahydrofuran / 14 h / Heating

With pyridine; tris(dibenzylideneacetone)dipalladium⁽⁰⁾ chloroform complex; tetramethylammonium metaperiodate; hydrogen bromide; sodium hydride; acetic acid; triethylamine; triphenylphosphine; zinc; In tetrahydrofuran; dichloromethane;
DOI:10.1016/S0040-4020(01)80313-6

Reference yield:

: 146309-04-8
6-Oxa-7-aza-bicyclo[3.2.2]non-8-ene-7-carboxylic acid benzyl ester

: 113340-15-1
1-(amino)cyclohepta-2,4-diene

Guidance literature:: Multi-step reaction with 5 steps

1: 90 percent / 45percent HBr(AcOH) / 2 h / Ambient temperature

2: 64 percent / Zn, AcOH / 4 h / 50 - 60 °C

3: 1.) NaH / 1.) Et₂O, r. t., 2 h, 2.) r. t., 2 h

4: 93 percent / pyridine / CH₂Cl₂ / 2 h / 0 °C

5: 64 percent / NEt₃, Ph₃P, Pd₂(dba)3*CHCl₃ / tetrahydrofuran / 14 h / Heating

With pyridine; tris(dibenzylideneacetone)dipalladium⁽⁰⁾ chloroform complex; hydrogen bromide; sodium hydride; acetic acid; triethylamine; triphenylphosphine; zinc; In tetrahydrofuran; dichloromethane;
DOI:10.1016/S0040-4020(01)80313-6