2-(4-tert-butylcyclohexylidene)acetic Acid

Base Information

• Chemical Name: 2-(4-tert-butylcyclohexylidene)acetic Acid
• CAS No.: 13733-51-2
• Molecular Formula: C₁₂H₂₀O₂
• Molecular Weight: 196.29
• European Community (EC) Number: 604-014-3
• DSSTox Substance ID: DTXSID701222228
• Nikkaji Number: J274.435J
• Mol file: 13733-51-2.mol

Synonyms:2-(4-tert-butylcyclohexylidene)acetic Acid;13733-51-2;SCHEMBL6712596;DTXSID701222228;4-tert-Butylcyclohexylideneacetic acid;AKOS009218960;2-(4-tert-butylcyclohexylidene)aceticAcid;CS-0222100;EN300-110326;2-[4-(1,1-Dimethylethyl)cyclohexylidene]acetic acid;Z352747116

Chemical Property of 2-(4-tert-butylcyclohexylidene)acetic Acid

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 2
• Exact Mass: 196.146329876
• Heavy Atom Count: 14
• Complexity: 236

Purity/Quality:

97% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

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

Technology Process of 2-(4-tert-butylcyclohexylidene)acetic Acid

There total 20 articles about 2-(4-tert-butylcyclohexylidene)acetic 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: 96.0%

ethyl (4-tert-butylcyclohexylidene)acetate (129518-99-6,129519-00-2,13733-50-1) → (4-tert-butylcyclohexylidene)acetic acid (28835-96-3,28835-98-5,13733-51-2)

Guidance literature:

With potassium hydroxide; In methanol; water; for 2h; Heating;

Reference yield:

4-tercbutyl-cyclohexanone (98-53-3) → (4-tert-butylcyclohexylidene)acetic acid (28835-96-3,28835-98-5,13733-51-2)

Guidance literature:

Multi-step reaction with 2 steps

1: 115 g / sodium hydride / 1,2-dimethoxy-ethane / 0.75 h / 25 - 30 °C

2: 89.5 percent / alcoholic potassium hydroxide / Heating

With potassium hydroxide; sodium hydride; In 1,2-dimethoxyethane;

DOI:10.1021/ja00348a048

Reference yield:

cis 1-bromo-4-tert-butylcyclohexyl acetic acid (116468-86-1) → (R)-4-tert-butylcyclohexylidene acetic acid (13733-51-2) + (4-tert-Butyl-cyclohexylidene)-acetic acid (13733-51-2)

Guidance literature:

With chiral lithium amide; In tetrahydrofuran; hexane; at -72 ℃; for 18h; Yield given. Yields of byproduct given;

DOI:10.1016/S0040-4039(00)96768-6

upstream raw materials:

ethyl (4-tert-butylcyclohexylidene)acetate

4-tercbutyl-cyclohexanone

acide hydroxy-1 tertiobutyl-4 cyclohexane-acetique

1-<(ethoxycarbonyl)methyl>-4-tert-butylcyclohexanol

Downstream raw materials:

C-((1R,4aS,10aR)-7-Isopropyl-1,4a-dimethyl-1,2,3,4,4a,9,10,10a-octahydro-phenanthren-1-yl)-methylamine; compound with (4-tert-butyl-cyclohexylidene)-acetic acid

1-Allylidene-4-tert-butyl-cyclohexane

(aR)-(+)-(4-tert-butylcyclohexylidene)propene

cis 1-chloro-4-tert-butylcyclohexyl acetic acid