Benzoic acid, 2,4-dichloro-, 5-(2-hydroxycyclohexyl)-2-pentenyl ester, (1alpha(Z),2beta)-

Base Information

Chemical Name:Benzoic acid, 2,4-dichloro-, 5-(2-hydroxycyclohexyl)-2-pentenyl ester, (1alpha(Z),2beta)-
CAS No.:101858-98-4
Molecular Formula:C18H22 Cl2 O3
Molecular Weight:357.2715
Hs Code.:

Synonyms:101858-98-4;Benzoic acid, 2,4-dichloro-, 5-(2-hydroxycyclohexyl)-2-pentenyl ester, (1alpha(Z),2beta)-

Suppliers and Price of Benzoic acid, 2,4-dichloro-, 5-(2-hydroxycyclohexyl)-2-pentenyl ester, (1alpha(Z),2beta)-

Supply Marketing:

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

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Chemical Property of Benzoic acid, 2,4-dichloro-, 5-(2-hydroxycyclohexyl)-2-pentenyl ester, (1alpha(Z),2beta)-

Chemical Property:

Vapor Pressure:5.43E-10mmHg at 25°C
Boiling Point:479.2°Cat760mmHg
Flash Point:243.6°C
Density:1.23g/cm³
XLogP3:5.2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:3
Rotatable Bond Count:7
Exact Mass:356.0945999
Heavy Atom Count:23
Complexity:400

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CCC(C(C1)CCC=CCOC(=O)C2=C(C=C(C=C2)Cl)Cl)O
Isomeric SMILES:C1CC[C@@H]([C@H](C1)CC/C=C\COC(=O)C2=C(C=C(C=C2)Cl)Cl)O

Technology Process of Benzoic acid, 2,4-dichloro-, 5-(2-hydroxycyclohexyl)-2-pentenyl ester, (1alpha(Z),2beta)-

There total 7 articles about Benzoic acid, 2,4-dichloro-, 5-(2-hydroxycyclohexyl)-2-pentenyl ester, (1alpha(Z),2beta)- 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:

: 101859-38-5
2,4-Dichloro-benzoic acid (Z)-5-[(1S,2R)-2-(tert-butyl-dimethyl-silanyloxy)-cyclohexyl]-pent-2-enyl ester

: 101858-98-4
2,4-Dichloro-benzoic acid (Z)-5-((1S,2R)-2-hydroxy-cyclohexyl)-pent-2-enyl ester

Guidance literature:: With hydrogen fluoride; In acetonitrile; at 0 ℃; Yield given;
DOI:10.1021/jo00362a014

Reference yield:

: 286-20-4
cyclohexane-1,2-epoxide

: 101858-98-4
2,4-Dichloro-benzoic acid (Z)-5-((1S,2R)-2-hydroxy-cyclohexyl)-pent-2-enyl ester

Guidance literature:: Multi-step reaction with 7 steps

1: 1.) CuI / 1.) Et₂O

2: 75 percent / TEA,DMAP / tetrahydrofuran; dimethylformamide / Heating

3: 1.) O₃, 2.) Me₂S / 1.) MeOH, - 60 deg C

4: 56 percent / KN(Me₄Si)2, 18-C-6 / tetrahydrofuran

5: dibal / diethyl ether / -78 - 0 °C

6: TEA, DMAP / CH₂Cl₂

7: 48percent aq. HF / acetonitrile / 0 °C

With dmap; copper(l) iodide; 18-crown-6 ether; dimethylsulfide; KN(Me₄Si)2; TEA; hydrogen fluoride; diisobutylaluminium hydride; ozone; In tetrahydrofuran; diethyl ether; dichloromethane; N,N-dimethyl-formamide; acetonitrile;
DOI:10.1021/jo00362a014

Reference yield:

: 1773-36-0,3392-93-6,90974-59-7
trans-2-but-3-enylcyclohexanol

: 101858-98-4
2,4-Dichloro-benzoic acid (Z)-5-((1S,2R)-2-hydroxy-cyclohexyl)-pent-2-enyl ester

Guidance literature:: Multi-step reaction with 6 steps

1: 75 percent / TEA,DMAP / tetrahydrofuran; dimethylformamide / Heating

2: 1.) O₃, 2.) Me₂S / 1.) MeOH, - 60 deg C

3: 56 percent / KN(Me₄Si)2, 18-C-6 / tetrahydrofuran

4: dibal / diethyl ether / -78 - 0 °C

5: TEA, DMAP / CH₂Cl₂

6: 48percent aq. HF / acetonitrile / 0 °C

With dmap; 18-crown-6 ether; dimethylsulfide; KN(Me₄Si)2; TEA; hydrogen fluoride; diisobutylaluminium hydride; ozone; In tetrahydrofuran; diethyl ether; dichloromethane; N,N-dimethyl-formamide; acetonitrile;
DOI:10.1021/jo00362a014