2-Methylisoborneol

Base Information

• Chemical Name: 2-Methylisoborneol
• CAS No.: 2371-42-8
• Deprecated CAS: 18680-50-7,27695-81-4,95097-54-4
• Molecular Formula: C₁₁H₂₀O
• Molecular Weight: 168.279
• Hs Code.: 2906199090
• Nikkaji Number: J1.020.578F
• Wikipedia: 2-Methylisoborneol
• Wikidata: Q100306102
• Mol file: 2371-42-8.mol

Synonyms:2-methylisoborneol

Chemical Property of 2-Methylisoborneol

Chemical Property:

• Vapor Pressure: 0.049mmHg at 25°C
• Melting Point: 168 °C
• Refractive Index: 1.493
• Boiling Point: 208.7°Cat760mmHg
• PKA: 15.43±0.60(Predicted)
• Flash Point: 83.5°C
• PSA: 20.23000
• Density: 0.968g/cm³
• LogP: 2.58360
• Storage Temp.: −20°C
• Solubility.: Chloroform (Slightly), Ethanol (Slightly)
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 168.151415257
• Heavy Atom Count: 12
• Complexity: 221

Purity/Quality:

98%,99%, ^*data from raw suppliers

2-Methylisoborneol solution analytical standard ^*data from reagent suppliers

Safty Information:

• Hazard Codes: F,T
• Statements: 11-23/24/25-39/23/24/25
• Safety Statements: 7-16-36/37-45

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(C2CCC1(C(C2)(C)O)C)C
• Uses: 2-Methylisoborneol can be used as a reactant: To prepare N-[(1R,2R,4R)-1,4,7,7-tetramethylbicyclo[2.2.1]hept-2-yl]acetamide by reacting with acetonitrile in the presence of boron trifluoride etherate. In the enantioselective total synthesis of geissoschizine as well as geissoschizol.

Technology Process of 2-Methylisoborneol

There total 3 articles about 2-Methylisoborneol 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: 52.0%

1,7,7-trimethyl-bicyclo[2.2.1]heptan-2-one (736109-58-3,787517-91-3,68546-28-1) + methyllithium (917-54-4) → 1,2,7,7-tetramethylbicyclo<2.2.1>heptan-exo-2-ol (2371-42-8,812697-60-2)

Guidance literature:

In diethyl ether; for 4h; Ambient temperature;

DOI:10.1007/BF00630598

Reference yield:

→ (2R,4R)-1,2,7,7-Tetramethyl-bicyclo[2.2.1]heptan-2-ol (2371-42-8,28405-88-1,68330-43-8,68330-44-9,91278-70-5,135683-82-8,138602-77-4,145164-15-4,145164-18-7,812697-60-2)

Guidance literature:

(+)-Campher (I), Methyl-Li;

Reference yield:

→ 2-methylisoborneol (2371-42-8,28405-88-1,68330-43-8,68330-44-9,91278-70-5,135683-82-8,138602-77-4,145164-15-4,145164-18-7,812697-60-2)

Guidance literature:

aus Campher, Methylmagnesiumiodid;

DOI:10.1016/S0040-4039(01)89586-1

upstream raw materials:

1,7,7-trimethyl-bicyclo[2.2.1]heptan-2-one

methyllithium

Downstream raw materials:

1,3,3-Trimethyl-2-methylidenebicyclo<2.2.1>heptane

2-methylenebornane

2-Methyl-2-bornene

Refernces