4-tert-Butylcyclohexyl chloroformate

Base Information

• Chemical Name: 4-tert-Butylcyclohexyl chloroformate
• CAS No.: 42125-46-2
• Molecular Formula: C11H19 Cl O2
• Molecular Weight: 218.724
• Hs Code.: 2915900090
• European Community (EC) Number: 255-670-9
• DSSTox Substance ID: DTXSID0052093
• Nikkaji Number: J278.339H
• Mol file: 42125-46-2.mol

Synonyms:42125-46-2;4-tert-Butylcyclohexyl chloroformate;(4-tert-butylcyclohexyl) carbonochloridate;Carbonochloridic acid, 4-(1,1-dimethylethyl)cyclohexyl ester;4-t-butylcyclohexyl chloroformate;EINECS 255-670-9;4-TERT-BUTYLCYCLOHEXYL CARBONOCHLORIDATE;EC 255-670-9;4-(tert-Butyl)cyclohexyl carbonochloridate;SCHEMBL83128;DTXSID0052093;AKOS015918423;p-(ter-Butyl)-cyclohexyl chloroformate;LS-52214;FT-0655689;A825776;2,2-DICHLORO-3,3,3-TRIFLUOROPROPIONICACID;carbonochloridic acid (4-tert-butylcyclohexyl) ester;W-109227;Chloridocarbonic acid 4-(1,1-dimethylethyl)cyclohexyl ester

Chemical Property of 4-tert-Butylcyclohexyl chloroformate

Chemical Property:

• Vapor Pressure: 0.0168mmHg at 25°C
• Refractive Index: 1.465
• Boiling Point: 254.9 °C at 760 mmHg
• Flash Point: 84.2 °C
• PSA: 26.30000
• Density: 1.05 g/cm³
• LogP: 3.96670
• XLogP3: 4.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 218.1073575
• Heavy Atom Count: 14
• Complexity: 200

Purity/Quality:

98% ^*data from raw suppliers

4-(tert-Butyl)cyclohexyl carbonochloridate 95+% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)(C)C1CCC(CC1)OC(=O)Cl
• Uses: 4-tert-Butylcyclohexyl Chloroformate is an intermediate in the synthesis of Bis(4-(tert-butyl)cyclohexyl) Peroxydicarbonate (B592234) which is a useful raw material used in the preparation of polymerizable yellow azo dyes applied in artificial intraocular lens. A catalyst.

Technology Process of 4-tert-Butylcyclohexyl chloroformate

There total 3 articles about 4-tert-Butylcyclohexyl chloroformate 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: 98.2%

→ 4-tert-butylcyclohexyl chloroformate (42125-46-2)

Guidance literature:

With triethylamine; In dichloromethane; at -5 - 25 ℃; for 13h;

Reference yield:

bis(trichloromethyl) carbonate (32315-10-9) + 4-(1,1-dimethylethyl)-cyclohexanol (98-52-2) → 4-tert-butylcyclohexyl chloroformate (42125-46-2)

Guidance literature:

With triethylamine; In dichloromethane; at 0 ℃; for 0.5h;

DOI:10.3390/molecules24102021_rfseq1

Reference yield:

phosgene (75-44-5) + 4-(1,1-dimethylethyl)-cyclohexanol (98-52-2) → 4-tert-butylcyclohexyl chloroformate (42125-46-2)

Guidance literature:

In tetrahydrofuran; toluene; Yield given; Ambient temperature;

DOI:10.1016/S0040-4020(98)01184-3

upstream raw materials:

phosgene

4-(1,1-dimethylethyl)-cyclohexanol

bis(trichloromethyl) carbonate

Downstream raw materials:

4-(4-tert-Butyl-cyclohexyloxycarbonylamino)-benzoic acid

C₁₄H₂₄O₃S₂

cis-4-t-butylcyclohex-2-enyl chloride

Refernces

• 1、 -. "Preparation method of alicyclic and aromatic-aliphatic chloroformate". Paragraph 0040-0043. . Retrieved 2017/05/16.
• 2、 Forbes, Judith E.,Saicic, Radomir N.,Zard, Samir Z.. "New radical reactions of S-alkoxycarbonyl xanthates. Total synthesis of (±)-cinnamolide and (±)-methylenolactocin". . p. 3791 - 3802. Retrieved 2007/10/03.