3-Phenylpropyl cyclohexanepropionate

Base Information

Chemical Name:3-Phenylpropyl cyclohexanepropionate
CAS No.:85204-27-9
Molecular Formula:C18H26 O2
Molecular Weight:274.403
Hs Code.:2916209090
European Community (EC) Number:286-322-4
NSC Number:8331
UNII:428ZJ4SA35
DSSTox Substance ID:DTXSID00234404
Nikkaji Number:J333.823A
Wikidata:Q83116180
Mol file:85204-27-9.mol

Synonyms:3-Phenylpropyl cyclohexanepropionate;85204-27-9;EINECS 286-322-4;428ZJ4SA35;NSC-8331;3-phenylpropyl 3-cyclohexylpropanoate;UNII-428ZJ4SA35;DTXSID00234404;NSC8331;NSC 8331;3-PHENYLPROPYL CYCLOHEXANEPROPANOATE;Cyclohexanepropionic acid 3-phenylpropyl ester;1-PROPANOL, 3-PHENYL-, CYCLOHEXANEPROPIONATE;CYCLOHEXANEPROPANOIC ACID, 3-PHENYLPROPYL ESTER

Suppliers and Price of 3-Phenylpropyl cyclohexanepropionate

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
Packaging
price

Total 7 raw suppliers

Chemical Property of 3-Phenylpropyl cyclohexanepropionate

Chemical Property:

Vapor Pressure:2.95E-06mmHg at 25°C
Boiling Point:388.9°C at 760 mmHg
Flash Point:134.9°C
PSA：26.30000
Density:1g/cm³
LogP:4.52290
XLogP3:5.5
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:8
Exact Mass:274.193280068
Heavy Atom Count:20
Complexity:263

Purity/Quality:

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CCC(CC1)CCC(=O)OCCCC2=CC=CC=C2

Technology Process of 3-Phenylpropyl cyclohexanepropionate

There total 6 articles about 3-Phenylpropyl cyclohexanepropionate 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: 76.0%

: C₂₉H₂₇O₂P

: 1192-37-6
methylenecyclohexane

: 85204-27-9
3-cyclohexyl-propionic acid-(3-phenyl-propyl ester)

Guidance literature:: With pentafluorophenylthiol; tris[2-phenylpyridinato-C²,N]iridium(III); ascorbic acid; In 1,2-dimethoxyethane; water; at 20 ℃; for 40h; Inert atmosphere; Sealed tube; Irradiation;
DOI:10.1002/anie.201809115

Reference yield:

: 122-97-4
3-Phenyl-1-propanol

: 85204-27-9
3-cyclohexyl-propionic acid-(3-phenyl-propyl ester)

Guidance literature:: Multi-step reaction with 3 steps

1.1: potassium carbonate / dichloromethane; water / 20 °C

2.1: toluene / 20 °C

2.2: 20 °C

3.1: tris[2-phenylpyridinato-C²,N]iridium(III); ascorbic acid; pentafluorophenylthiol / water; 1,2-dimethoxyethane / 40 h / 20 °C / Inert atmosphere; Sealed tube; Irradiation

With pentafluorophenylthiol; tris[2-phenylpyridinato-C²,N]iridium(III); potassium carbonate; ascorbic acid; In 1,2-dimethoxyethane; dichloromethane; water; toluene;
DOI:10.1002/anie.201809115

Reference yield:

: 59956-66-0
3-phenylpropyl 2-bromoacetate

: 85204-27-9
3-cyclohexyl-propionic acid-(3-phenyl-propyl ester)

Guidance literature:: Multi-step reaction with 2 steps

1.1: toluene / 20 °C

1.2: 20 °C

2.1: tris[2-phenylpyridinato-C²,N]iridium(III); ascorbic acid; pentafluorophenylthiol / water; 1,2-dimethoxyethane / 40 h / 20 °C / Inert atmosphere; Sealed tube; Irradiation

With pentafluorophenylthiol; tris[2-phenylpyridinato-C²,N]iridium(III); ascorbic acid; In 1,2-dimethoxyethane; water; toluene;
DOI:10.1002/anie.201809115