Cyclohexanecarboxaldehyde, 4,4-difluoro- (9CI)

Base Information

• Chemical Name: Cyclohexanecarboxaldehyde, 4,4-difluoro- (9CI)
• CAS No.: 265108-36-9
• Molecular Formula: C7H10F2O
• Molecular Weight: 148.153
• Hs Code.: 2913000090
• Mol file: 265108-36-9.mol

Synonyms:4,4-Difluorocyclohexanecarboxaldehyde;

Chemical Property of Cyclohexanecarboxaldehyde, 4,4-difluoro- (9CI)

Chemical Property:

• Boiling Point: 165 °C at 760 mmHg
• Flash Point: 59 °C
• PSA: 17.07000
• Density: 1.1 g/cm³
• LogP: 2.01080
• Storage Temp.: Inert atmosphere,Store in freezer, under -20°C

Purity/Quality:

98%, ^*data from raw suppliers

4,4-Difluorocyclohexanecarbaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi

MSDS Files:

SDS file from LookChem

Useful:

• Uses: 4,4-Difluorocyclohexanecarbaldehyde is used in the preparation of heteroaryl acid derivative and methods for treating oxalate-related diseases.

Technology Process of Cyclohexanecarboxaldehyde, 4,4-difluoro- (9CI)

There total 9 articles about Cyclohexanecarboxaldehyde, 4,4-difluoro- (9CI) 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: 95.0%

(4,4-difluorocyclohexyl)methanol (178312-48-6) → 4,4-difluorocyclohexane carboxyaldehyde (265108-36-9)

Guidance literature:

With Dess-Martin periodane; In dichloromethane; at 0 - 20 ℃; for 2.5h;

DOI:10.1021/acs.orglett.0c00124

Reference yield: 83.0%

ethyl 4,4-difluorocyclohexane-1-carboxylate (178312-47-5) → 4,4-difluorocyclohexane carboxyaldehyde (265108-36-9)

Guidance literature:

With diisobutylaluminium hydride; In toluene; at -78 ℃; for 2h;

Reference yield:

5-fluoro-2-nitrobenzoyl chloride (394-02-5) → 2-amino-5-fluoro-benzoic acid methyl ester (319-24-4)

Guidance literature:

Multi-step reaction with 2 steps

2: platinum; ethanol / Hydrogenation

With ethanol; platinum;

DOI:10.1021/ja01235a032

upstream raw materials:

5-fluoro-2-nitrobenzoyl chloride

4,4-difluoro-N-methoxy-N-methylcyclohexane-1-carboxamide

(4,4-difluorocyclohexyl)methanol

ethyl 4,4-difluorocyclohexane-1-carboxylate

Downstream raw materials:

C₉H₁₄F₂O

tert-butyl N-{1-[(4,4-difluorocyclohexyl)methyl]piperidin-4-yl}carbamate

Refernces

• 1、 -. "COMPOUNDS AND METHODS FOR TREATING OXALATE-RELATED DISEASES". Paragraph 0795. . Retrieved 2021/02/26.
• 2、 -. "CRYSTAL OF TRICYCLIC COMPOUND". Paragraph 0052-0053. . Retrieved 2020/08/25.