trans-4-Isopropylcyclohexanecarbonyl chloride

Base Information

• Chemical Name: trans-4-Isopropylcyclohexanecarbonyl chloride
• CAS No.: 100597-38-4
• Molecular Formula: C₁₀H₁₇ClO
• Molecular Weight: 188.697
• UNII: N81MH2AZNX,TX45N3A649
• Nikkaji Number: J364.772B
• Wikidata: Q27284686

Synonyms:trans-4-isopropylcyclohexanecarbonyl chloride;4-propan-2-ylcyclohexane-1-carbonyl Chloride;84855-54-9;UNII-N81MH2AZNX;N81MH2AZNX;4-Isopropylcyclohexanecarbonyl chloride;UNII-JVQ9R2F61S;JVQ9R2F61S;77301-48-5;TX45N3A649;100597-38-4;4-Isopropylcyclohexanecarbonyl chloride, cis-;Cyclohexanecarbonyl chloride, 4-(1-methylethyl)-;Cyclohexanecarbonyl chloride, 4-(1-methylethyl)-, cis-;UNII-TX45N3A649;SCHEMBL1692266;SCHEMBL1692308;SCHEMBL13917840;SCHEMBL19327704;Cyclohexanecarbonyl chloride, 4-(1-methylethyl)-, trans-;YXGDSBSUTMGHOL-KYZUINATSA-N;cis-4-isopropylcyclohexanecarbonyl chloride;trans-4-isopropylcyclohexyl-carbonyl chloride;trans-4-isopropylcyclohexane carbonyl chloride;4beta-Isopropylcyclohexane-1alpha-carbonyl chloride;trans-4-isopropylcyclohexane carboxylic acid chloride;4-ISOPROPYLCYCLOHEXANECARBONYL CHLORIDE, TRANS-;Q27284686;Q27895861

Chemical Property of trans-4-Isopropylcyclohexanecarbonyl chloride

Chemical Property:

• XLogP3: 3.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 188.0967929
• Heavy Atom Count: 12
• Complexity: 157

Purity/Quality:

98% HPLC ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)C1CCC(CC1)C(=O)Cl

Technology Process of trans-4-Isopropylcyclohexanecarbonyl chloride

There total 1 articles about trans-4-Isopropylcyclohexanecarbonyl chloride 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:

p-isopropylbenzoic acid (536-66-3) → 4-iso-propylcyclohexanecarbonyl chloride (100597-38-4)

Guidance literature:

Multi-step reaction with 2 steps

1: H₂ / PtO₂ / acetic acid / 4 h / 38000 Torr / Ambient temperature

2: thionyl chloride / 5 h / Heating

With thionyl chloride; hydrogen; platinum(IV) oxide; In acetic acid;

DOI:10.1248/cpb.35.2426

Reference yield: 65.0%

D-(R)-phenylalanine (673-06-3,25191-15-5,658-69-5,67675-33-6) + 4-iso-propylcyclohexanecarbonyl chloride (100597-38-4) → nateglinide (105816-04-4,105816-05-5)

Guidance literature:

With sodium hydroxide; sulfuric acid;

Reference yield: 58.8%

α-mercapto-β-(4-methylphenyl)acrylic acid (93515-29-8) + 4-iso-propylcyclohexanecarbonyl chloride (100597-38-4) → (Z)-2-(4-Isopropyl-cyclohexanecarbonylsulfanyl)-3-p-tolyl-acrylic acid (100597-46-4)

Guidance literature:

With sodium hydroxide; In diethyl ether; water; at 0 ℃; for 1h;

DOI:10.1248/cpb.33.2256

upstream raw materials:

p-isopropylbenzoic acid

Downstream raw materials:

2-diazo-1-(trans-4-isopropylcyclohexyl)-1-ethanone

2-diazo-1-(cis-4-isopropylcyclohexyl)-1-ethanone

(Z)-2-(4-Isopropyl-cyclohexanecarbonylsulfanyl)-3-p-tolyl-acrylic acid

Benzenesulfonic acid 2-(4-isopropyl-cyclohexyl)-2-oxo-ethyl ester

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