3,7,7-Trimethylbicyclo(4.1.0)hept-3-ene-2-methanol

Base Information

• Chemical Name: 3,7,7-Trimethylbicyclo(4.1.0)hept-3-ene-2-methanol
• CAS No.: 70424-76-9
• Molecular Formula: C₁₁H₁₈O
• Molecular Weight: 166.263
• European Community (EC) Number: 274-601-3
• DSSTox Substance ID: DTXSID00990634
• Nikkaji Number: J288.928E
• Mol file: 70424-76-9.mol

Synonyms:70424-76-9;EINECS 274-601-3;3,7,7-Trimethylbicyclo(4.1.0)hept-3-ene-2-methanol;2-hydroxymethyl-3-carene;DTXSID00990634;QNQLBLWLFHHSMS-UHFFFAOYSA-N;NS00061759;(3,7,7-Trimethylbicyclo[4.1.0]hept-3-en-2-yl)methanol

Chemical Property of 3,7,7-Trimethylbicyclo(4.1.0)hept-3-ene-2-methanol

Chemical Property:

• Vapor Pressure: 0.0102mmHg at 25°C
• Boiling Point: 233.6°Cat760mmHg
• Flash Point: 91.8°C
• PSA: 20.23000
• Density: 0.958g/cm³
• LogP: 2.21710
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 166.135765193
• Heavy Atom Count: 12
• Complexity: 227

Purity/Quality:

99.9% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CCC2C(C1CO)C2(C)C

Technology Process of 3,7,7-Trimethylbicyclo(4.1.0)hept-3-ene-2-methanol

There total 4 articles about 3,7,7-Trimethylbicyclo(4.1.0)hept-3-ene-2-methanol 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: 38.0%

2-carene (554-61-0) → trans-2-hydroxymethyl-3-carene (70424-76-9,123476-20-0)

Guidance literature:

at 180 ℃; for 6h;

DOI:10.1007/BF00598403

Reference yield: 28.0%

2-carene (554-61-0) → 2,2-dimethyl-6-methylene-3-oxa-bicyclo[3.3.1]nonane (30558-01-1,35117-72-7) + trans-2-hydroxymethyl-3-carene (70424-76-9,123476-20-0) + 3,3-dimethyl-10-methylene-8-oxatricyclo<4.3.1.02,4>decane (76690-03-4) + trans-2-acetoxymethyl-3-carene (84864-55-1,123476-21-1)

Guidance literature:

at 120 ℃; for 48h; Further byproducts given;

DOI:10.1007/BF00598403

Reference yield: 28.0%

2-carene (554-61-0) → 3,7,7-trimethyl-8,10-dioxatricyclo<5.4.0.02,4>undecane (123476-22-2) + trans-2-hydroxymethyl-3-carene (70424-76-9,123476-20-0) + 3,3-dimethyl-10-methylene-8-oxatricyclo<4.3.1.02,4>decane (76690-03-4) + trans-2-acetoxymethyl-3-carene (84864-55-1,123476-21-1)

Guidance literature:

at 120 ℃; for 48h; Further byproducts given;

DOI:10.1007/BF00598403

upstream raw materials:

2-carene

Downstream raw materials:

4-methylisopropylbenzene

limonene

3,4-dimethylcumene

2,3,7,7-tetramethylcyclohepta-1,3,5-triene

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