(betaS,1R)-beta,4-Dimethyl-3-cyclohexene-1-ethanol

Base Information

• Chemical Name: (betaS,1R)-beta,4-Dimethyl-3-cyclohexene-1-ethanol
• CAS No.: 13835-75-1
• Molecular Formula: C10H18 O
• Molecular Weight: 154.252
• Hs Code.: 2906199090
• DSSTox Substance ID: DTXSID901259011
• Mol file: 13835-75-1.mol

Synonyms:(betaS,1R)-beta,4-Dimethyl-3-cyclohexene-1-ethanol;(4r,8s)-p-menth-1-en-9-ol;DTXSID901259011

Chemical Property of (betaS,1R)-beta,4-Dimethyl-3-cyclohexene-1-ethanol

Chemical Property:

• Refractive Index: 1.4620 (estimate)
• Boiling Point: 115-116℃ (10 torr)
• Flash Point: 103℃
• PSA: 20.23000
• Density: 0.9410
• LogP: 2.36120
• XLogP3: 2.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 154.135765193
• Heavy Atom Count: 11
• Complexity: 149

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Safety Statements: S24/25:Avoid contact with skin and eyes.

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CCC(CC1)C(C)CO
• Isomeric SMILES: CC1=CC[C@@H](CC1)[C@H](C)CO

Technology Process of (betaS,1R)-beta,4-Dimethyl-3-cyclohexene-1-ethanol

There total 15 articles about (betaS,1R)-beta,4-Dimethyl-3-cyclohexene-1-ethanol 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: 95.0%

(4R,8S)-p-menth-1-en-9-yl 3,5-dinitrobenzoate (13835-31-9) → (4R,8R)-p-ment-1-en-9-ol (13835-75-1)

Guidance literature:

With potassium hydroxide; In methanol; Reflux;

DOI:10.1002/ejoc.200701010

Reference yield: 92.0%

(2R)-2-[(1R)-4-methylcyclohex-3-en-1-yl]propyl 3,5-dinitrobenzoate (13835-32-0) → (2R)-2-[(1R)-4-methylcyclohex-3-en-1-yl]propan-1-ol (13835-75-1,18479-68-0,26462-81-7,26462-90-8,70518-81-9,70518-83-1,13835-30-8)

Guidance literature:

With potassium hydroxide; In methanol; Reflux;

DOI:10.1002/ejoc.200701010

Reference yield: 67.0%

(R)-p-mentha-1,8-dien-9-al (121962-40-1) → (2R)-2-[(1R)-4-methylcyclohex-3-en-1-yl]propan-1-ol (13835-75-1,18479-68-0,26462-81-7,26462-90-8,70518-81-9,70518-83-1,13835-30-8)

Guidance literature:

(R)-p-mentha-1,8-dien-9-al; With baker's yeast; D-glucose; In water; at 20 ℃; for 96h; solid phase reaction;

With manganese(IV) oxide; In chloroform; for 8h; Reflux;

DOI:10.1002/ejoc.200701010

upstream raw materials:

(2R)-2-[(1R)-4-methylcyclohex-3-en-1-yl]propyl 3,5-dinitrobenzoate

(R)-p-mentha-1,8-dien-9-al

(2R,5R)-5-isopropenyl-2-methylcyclohexanone

ethyl (E)-2-[(2R,5R)-2-methyl-5-(prop-1-en-2-yl)cyclohexylidene]acetate

Downstream raw materials:

Toluene-4-sulfonic acid (S)-2-((R)-4-methyl-cyclohex-3-enyl)-propyl ester

(R)-3-((R)-4-Methyl-cyclohex-3-enyl)-butyronitrile

allyl<(R,R)-(+)-p-menth-1-en-9-oxy>dimethylsilane

(+)-(4R.8R)-Δ¹-p-Menthen-9-al