Butyl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropane-1-carboxylate

Base Information

• Chemical Name: Butyl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropane-1-carboxylate
• CAS No.: 5458-66-2
• Molecular Formula: C₁₄H₂₄O₂
• Molecular Weight: 224.343
• Hs Code.: 2916209090
• NSC Number: 23749
• DSSTox Substance ID: DTXSID20281990
• Mol file: 5458-66-2.mol

Synonyms:5458-66-2;NSC23749;SCHEMBL809165;DTXSID20281990;NSC-23749;Butyl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropane-1-carboxylate

Chemical Property of Butyl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropane-1-carboxylate

Chemical Property:

• Vapor Pressure: 0.00985mmHg at 25°C
• Boiling Point: 264.2°Cat760mmHg
• Flash Point: 105.4°C
• PSA: 26.30000
• Density: 0.971g/cm³
• LogP: 3.56810
• XLogP3: 5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 6
• Exact Mass: 224.177630004
• Heavy Atom Count: 16
• Complexity: 285

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCOC(=O)C1C(C1(C)C)C=C(C)C

Technology Process of Butyl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)cyclopropane-1-carboxylate

There total 4 articles about Butyl 2,2-dimethyl-3-(2-methylprop-1-en-1-yl)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:

2,5-Dimethyl-2,4-hexadiene (764-13-6) + 1-butyl diazoacetate (24761-88-4) → d,l-trans-Chrysanthemsaeure-butylester (5458-66-2,21394-15-0,51334-26-0,64312-72-7,64312-73-8,84848-26-0,84848-27-1,96393-69-0) + (1S,3R)-2,2-Dimethyl-3-(2-methyl-propenyl)-cyclopropanecarboxylic acid butyl ester (5458-66-2,21394-15-0,51334-26-0,64312-72-7,64312-73-8,84848-26-0,84848-27-1,96393-69-0)

Guidance literature:

Rh(II)-acetate; at 22 ℃; for 4h; Yield given. Yields of byproduct given;

Reference yield:

2,5-Dimethyl-2,4-hexadiene (764-13-6) + 1-butyl diazoacetate (24761-88-4) → d,l-trans-Chrysanthemsaeure-butylester (5458-66-2,21394-15-0,51334-26-0,64312-72-7,64312-73-8,84848-26-0,84848-27-1,96393-69-0) + (1S,3R)-2,2-Dimethyl-3-(2-methyl-propenyl)-cyclopropanecarboxylic acid butyl ester (5458-66-2,21394-15-0,51334-26-0,64312-72-7,64312-73-8,84848-26-0,84848-27-1,96393-69-0)

Guidance literature:

Rh(II)-acetate; at 22 ℃; for 4h; Yield given. Yields of byproduct given;

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) + butan-1-ol (71-36-3) → Chrysanthemumsaeure-butylester (5458-66-2)

Guidance literature:

With pyridine;

DOI:10.1021/jo01074a039

upstream raw materials:

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

butan-1-ol

2,5-Dimethyl-2,4-hexadiene

1-butyl diazoacetate

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