Cyclohexanecarboxaldehyde, 1-chloro-

Base Information

• Chemical Name: Cyclohexanecarboxaldehyde, 1-chloro-
• CAS No.: 53627-10-4
• Molecular Formula: C7H11ClO
• Molecular Weight: 146.617
• DSSTox Substance ID: DTXSID40424105
• Nikkaji Number: J495.663J
• Wikidata: Q82236553
• Mol file: 53627-10-4.mol

Synonyms:1-chlorocyclohexane-1-carbaldehyde;Cyclohexanecarboxaldehyde, 1-chloro-;53627-10-4;1-chlorocyclohexanecarbaldehyde;chlorocyclohexanal;Cyclohexane,1-chloro-1-nitroso-;SCHEMBL2004231;1-Chloro-cyclohexanecarbaldehyde;DTXSID40424105;1-chloro-cyclohexane-1-carbaldehyde;AKOS015907154;EN300-7137169;Z1251357068

Chemical Property of Cyclohexanecarboxaldehyde, 1-chloro-

Chemical Property:

• XLogP3: 1.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 146.0498427
• Heavy Atom Count: 9
• Complexity: 106

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: C1CCC(CC1)(C=O)Cl

Technology Process of Cyclohexanecarboxaldehyde, 1-chloro-

There total 9 articles about Cyclohexanecarboxaldehyde, 1-chloro- 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: 98.0%

1-chlorocyclohexanecarboxaldehyde dimethyl acetal (142836-47-3) → 1-chlorocyclohexane-1-carbaldehyde (53627-10-4)

Guidance literature:

With hydrogenchloride; acetic acid; for 24h;

DOI:10.1080/00397919308011293

Reference yield: 88.0%

(1'-chlorocyclohexyl)-ethoxycarbonylaminomethoxymethane (78174-32-0) → 1-chlorocyclohexane-1-carbaldehyde (53627-10-4)

Guidance literature:

With acetic acid; at 70 ℃; for 2h;

DOI:10.1016/S0040-4020(01)88026-1

Reference yield: 72.0%

cyclohexanecarbaldehyde (2043-61-0) → 1-chlorocyclohexane-1-carbaldehyde (53627-10-4)

Guidance literature:

With pyrrolidine; Trichloromethanesulfonyl chloride; 2,6-di-tert-butyl-pyridine; water; In 1,2-dimethoxyethane; at 60 ℃; for 5h;

DOI:10.1021/acs.joc.5b02543

upstream raw materials:

1-dichloromethyl-1-cyclohexanol

1-Hydroxy-1-<1-chlor-cyclohexyl-(1)>-acetonitril

1-chlorocyclohexanecarboxaldehyde dimethyl acetal

(1'-chlorocyclohexyl)-ethoxycarbonylaminomethoxymethane

Downstream raw materials:

C₁₆H₃₁NO₆P₂