Butan-2-yl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate

Base Information

• Chemical Name: Butan-2-yl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate
• CAS No.: 5458-67-3
• Molecular Formula: C14H24O2
• Molecular Weight: 224.34
• Hs Code.: 2916209090
• NSC Number: 23750
• DSSTox Substance ID: DTXSID80281991
• Nikkaji Number: J2.574.381D
• Mol file: 5458-67-3.mol

Synonyms:5458-67-3;butan-2-yl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate;NSC23750;DTXSID80281991;NSC-23750

Chemical Property of Butan-2-yl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate

Chemical Property:

• Vapor Pressure: 0.0129mmHg at 25°C
• Boiling Point: 259.5°Cat760mmHg
• Flash Point: 102.4°C
• PSA: 26.30000
• Density: 0.969g/cm³
• LogP: 3.56650
• XLogP3: 5.1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 224.177630004
• Heavy Atom Count: 16
• Complexity: 298

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)OC(=O)C1C(C1(C)C)C=C(C)C

Technology Process of Butan-2-yl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate

There total 2 articles about Butan-2-yl 2,2-dimethyl-3-(2-methylprop-1-enyl)cyclopropane-1-carboxylate 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:

3-(2-methyl-1-propenyl)-2,2-dimethylcyclopropanecarbonyl chloride (4489-12-7,4489-14-9,26770-95-6,28684-92-6,34909-52-9,51348-74-4,53955-46-7,56650-12-5,14297-81-5) + iso-butanol (78-92-2,15892-23-6) → Chrysanthemumsaeure-<1-methyl-propylester> (5458-67-3)

Guidance literature:

With pyridine;

DOI:10.1021/jo01074a039

Reference yield:

(1R,3R)-trans-chrysanthemic acid (4638-92-0) → 1R-trans-Chrysanthemsaeure-sec.-butylester (5458-67-3)

Guidance literature:

upstream raw materials:

(1R,3R)-trans-chrysanthemic acid

3-(2-methyl-1-propenyl)-2,2-dimethylcyclopropanecarbonyl chloride

iso-butanol

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