2-sec-Butyl-6-isopropylphenol

Base Information

• Chemical Name: 2-sec-Butyl-6-isopropylphenol
• CAS No.: 74926-97-9
• Molecular Formula: C13H20 O
• Molecular Weight: 192.301
• Hs Code.: 2907199090
• DSSTox Substance ID: DTXSID10874491
• Nikkaji Number: J79.087G
• ChEMBL ID: CHEMBL281868
• Mol file: 74926-97-9.mol

Synonyms:2-sec-Butyl-6-isopropylphenol;74926-97-9;BRN 5506051;Phenol, 2-sec-butyl-6-isopropyl-;SCHEMBL248963;CHEMBL281868;DTXSID10874491;NMTCMJXRNZCLIH-UHFFFAOYSA-N;(-)-2-sec-butyl-6-isopropylphenol;2-SEC-BUTYL-6-IOSPROPYLPHENOL;LS-104166

Chemical Property of 2-sec-Butyl-6-isopropylphenol

Chemical Property:

• Vapor Pressure: 0.00822mmHg at 25°C
• Melting Point: 24°C (estimate)
• Refractive Index: 1.5073 (estimate)
• Boiling Point: 259°C at 760 mmHg
• Flash Point: 117.7°C
• PSA: 20.23000
• Density: 0.94g/cm³
• LogP: 4.02910
• XLogP3: 3.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 3
• Exact Mass: 192.151415257
• Heavy Atom Count: 14
• Complexity: 165

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCC(C)C1=CC=CC(=C1O)C(C)C

Technology Process of 2-sec-Butyl-6-isopropylphenol

There total 7 articles about 2-sec-Butyl-6-isopropylphenol 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:

methyl-alpha-D-glucopyranoside (97-30-3) → 2-<2H>-D-glucose (30737-83-8,64429-86-3)

Guidance literature:

Multi-step reaction with 4 steps

1: 80 percent sodium hydride in mineral oil / 3 h / 120 °C

2: 2 M H₂SO₄ / acetic acid / 24 h / 90 °C

3: 42 percent / sodium, deuterium oxide / dioxane / 72 h / Ambient temperature

4: 1.) hydrogen, glacial acetic acid, 2.) ammonium hydroxide / 1.) palladium black / 1.) 1 atm, 24 h, 2.) methanol, 2 h

With ammonium hydroxide; sulfuric acid; hydrogen; water-d2; sodium; sodium hydride; acetic acid; palladium; In 1,4-dioxane; acetic acid;

DOI:10.1016/S0040-4020(01)88220-X

Reference yield:

2-<2H>-2,3,4,6-tetra-O-benzyl-D-glucose → 2-<2H>-D-glucose (30737-83-8,64429-86-3)

Guidance literature:

With ammonium hydroxide; hydrogen; acetic acid; palladium; Yield given. Multistep reaction; 1.) 1 atm, 24 h, 2.) methanol, 2 h;

DOI:10.1016/S0040-4020(01)88220-X

Reference yield:

→ 2-<2H>-D-glucose (30737-83-8,64429-86-3)

Guidance literature:

2-O-benzyl-D-<2-D>glucose, H2;

upstream raw materials:

1-butylene

2-(1-methylethyl)phenol

methyl-alpha-D-glucopyranoside

1-[(E)-but-2-enoxy]-2-isopropylbenzene

Downstream raw materials:

(R)-(+)-1-phenylethylcarbamic acid rac-2-sec-butyl-6-isopropylphenyl ester

(S)-(-)-1-phenylethylcarbamic acid rac-2-sec-butyl-6-isopropylphenyl ester

Refernces

• 1、 Hardick, David J.,Hutchinson, David W.,Trew, Sally J.,Wellington, Elizabeth M. H.. "Glucose is a precursor of 1-deoxynojirimycin and 1-deoxymannonojirimycin in Streptomyces subrutilus". . p. 6285 - 6296. Retrieved 2007/10/02.