4,4-Difluoro-1-methylcyclohexane-1-carboxylic acid

Base Information

Chemical Name:4,4-Difluoro-1-methylcyclohexane-1-carboxylic acid
CAS No.:1389313-41-0
Molecular Formula:C₈H₁₂F₂O₂
Molecular Weight:178.179
Hs Code.:2916200090
European Community (EC) Number:840-195-7
DSSTox Substance ID:DTXSID201242863
Mol file:1389313-41-0.mol

Synonyms:1389313-41-0;4,4-Difluoro-1-methylcyclohexane-1-carboxylic acid;4,4-DIFLUORO-1-METHYLCYCLOHEXANECARBOXYLIC ACID;SCHEMBL5324242;BKYRECMZIBZSSR-UHFFFAOYSA-N;DTXSID201242863;MFCD22375766;SB15441;AS-42305;CS-0215884;EN300-306067;4,4-DIFLUORO-1-METHYLCYCLOHEXANECARBOXYLICACID

Suppliers and Price of 4,4-Difluoro-1-methylcyclohexane-1-carboxylic acid

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

TRC
4,4-difluoro-1-methylcyclohexane-1-carboxylicacid
5mg
$ 45.00

Crysdot
4,4-Difluoro-1-methylcyclohexanecarboxylicacid 97%
1g
$ 709.00

AK Scientific
4,4-Difluoro-1-methylcyclohexane-1-carboxylicacid
100mg
$ 433.00

Total 7 raw suppliers

Chemical Property of 4,4-Difluoro-1-methylcyclohexane-1-carboxylic acid

Chemical Property:

XLogP3:2
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:1
Exact Mass:178.08053595
Heavy Atom Count:12
Complexity:191

Purity/Quality:

97% ^*data from raw suppliers

4,4-difluoro-1-methylcyclohexane-1-carboxylicacid ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC1(CCC(CC1)(F)F)C(=O)O

Technology Process of 4,4-Difluoro-1-methylcyclohexane-1-carboxylic acid

There total 1 articles about 4,4-Difluoro-1-methylcyclohexane-1-carboxylic acid 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:

: 178312-47-5
ethyl 4,4-difluorocyclohexane-1-carboxylate

: 1389313-41-0
4,4-difluoro-1-methylcyclohexane-1-carboxylic acid

Guidance literature:: Multi-step reaction with 2 steps

1.1: N-ethyl-N,N-diisopropylamine; n-butyllithium / tetrahydrofuran / 3 h / -78 - -20 °C / Inert atmosphere

1.2: -78 - 20 °C

2.1: potassium hydroxide / ethanol; water / Reflux

With n-butyllithium; N-ethyl-N,N-diisopropylamine; potassium hydroxide; In tetrahydrofuran; ethanol; water;

Reference yield: 82.0%

: 524-38-9
N-hydroxyphthalimide

: 1389313-41-0
4,4-difluoro-1-methylcyclohexane-1-carboxylic acid

: 1,3-dioxoisoindolin-2-yl 4,4-difluoro-1-methylcyclohexane-1-carboxylate

Guidance literature:: With dmap; diisopropyl-carbodiimide; In dichloromethane; at 20 ℃; for 0.5h;
DOI:10.1016/j.chempr.2020.12.024

Reference yield: 68.0%

: 1389313-41-0
4,4-difluoro-1-methylcyclohexane-1-carboxylic acid

: benzyl 2-{bis[(tert-butoxy)carbonyl]amino}prop-2-enoate

: 76-05-1
trifluoroacetic acid

: C₁₇H₂₃F₂NO₂*C₂HF₃O₂

Guidance literature:: benzyl 2-{bis[(tert-butoxy)carbonyl]amino}prop-2-enoate; With dipotassium hydrogenphosphate; 10-(3,5-dimethoxyphenyl)-9-mesityl-1,3,6,8-tetramethoxyacridin-10-ium tetrafluoroborate; In N,N-dimethyl-formamide; for 0.333333h; Sealed tube; Inert atmosphere;

4,4-difluoro-1-methylcyclohexane-1-carboxylic acid; In N,N-dimethyl-formamide; at 25 ℃; for 20h; Inert atmosphere; Sealed tube; Irradiation;

trifluoroacetic acid; In dichloromethane; at 25 ℃; for 1.5h; Sealed tube;
DOI:10.1021/acs.orglett.0c00371