1-Benzylcycloheptan-1-ol

Base Information Edit

Chemical Name:1-Benzylcycloheptan-1-ol
CAS No.:4006-73-9
Molecular Formula:C14H20 O
Molecular Weight:204.312
Hs Code.:2906299090
European Community (EC) Number:223-660-3
NSC Number:174143
DSSTox Substance ID:DTXSID00193123
Nikkaji Number:J217.824I
Wikidata:Q83065847
Mol file:4006-73-9.mol

Synonyms:1-Benzylcycloheptan-1-ol;4006-73-9;EINECS 223-660-3;1-benzylcycloheptanol;NSC174143;SCHEMBL2192517;C(c1ccccc1)C2(O)CCCCCC2;DTXSID00193123;NSC 174143;NSC-174143

Suppliers and Price of 1-Benzylcycloheptan-1-ol

Supply Marketing:Edit

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

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

TRC
1-Benzylcycloheptanol
10g
$ 1230.00

TRC
1-Benzylcycloheptanol
1g
$ 155.00

Total 7 raw suppliers

Chemical Property of 1-Benzylcycloheptan-1-ol Edit

Chemical Property:

Vapor Pressure:0.000156mmHg at 25°C
Boiling Point:317.9°Cat760mmHg
Flash Point:127°C
PSA：20.23000
Density:1.032g/cm³
LogP:3.31440
XLogP3:3.7
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:1
Rotatable Bond Count:2
Exact Mass:204.151415257
Heavy Atom Count:15
Complexity:174

Purity/Quality:

99.9% ^*data from raw suppliers

1-Benzylcycloheptanol ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CCCC(CC1)(CC2=CC=CC=C2)O
Uses 1-Benzylcycloheptanol is an intermediate in the synthesis of bencyclane fumerate (B132300).

Technology Process of 1-Benzylcycloheptan-1-ol

There total 7 articles about 1-Benzylcycloheptan-1-ol 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: 71.0%

: 5-benzylnona-1,8-dien-5-ol

: 4006-73-9
1-benzylcycloheptan-1-ol

Guidance literature:: 5-benzylnona-1,8-dien-5-ol; With tricyclohexylphosphine[1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidine][benzylidene]ruthenium(II) dichloride; In tetrahydrofuran; at 40 ℃; for 0.5h; Inert atmosphere;

With formic acid; sodium hydride; In tetrahydrofuran; at 80 ℃; for 48h; Inert atmosphere;
DOI:10.1021/acs.joc.7b02468

Reference yield:

: 17257-32-8
1-propylcycloheptanol

: 4006-73-9
1-benzylcycloheptan-1-ol

Guidance literature:: Multi-step reaction with 2 steps

1: (diacetoxy)iodobenzene; iodine / CH₂Cl₂ / 0.08 h / 20 °C / UV-irradiation

2: tetrahydrofuran

With [bis(acetoxy)iodo]benzene; iodine; In tetrahydrofuran; dichloromethane;
DOI:10.1021/jo049524y