2-Isopropylphenol

Base Information

• Chemical Name: 2-Isopropylphenol
• CAS No.: 88-69-7
• Molecular Formula: C9H12 O
• Molecular Weight: 136.194
• Hs Code.: 29071900
• European Community (EC) Number: 201-852-8,246-699-8
• NSC Number: 5103
• UN Number: 3145
• UNII: B2899Z0Q2U
• DSSTox Substance ID: DTXSID2044391
• Nikkaji Number: J44.155D
• Wikidata: Q27117882
• Metabolomics Workbench ID: 45219
• ChEMBL ID: CHEMBL30018
• Mol file: 88-69-7.mol

Synonyms:2-isopropylphenol;o-isopropylphenol;ortho-isopropylphenol

Chemical Property of 2-Isopropylphenol

Chemical Property:

• Appearance/Colour: clear to pale yellow liquid
• Vapor Pressure: 0.112mmHg at 25°C
• Melting Point: 15 - 16 C
• Refractive Index: AUTOIGNITION
• Boiling Point: 212 - 213 C
• Flash Point: 107 ºC
• PSA: 20.23000
• Density: 1.012
• LogP: 2.51560
• Water Solubility.: insoluble
• XLogP3: 2.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 136.088815002
• Heavy Atom Count: 10
• Complexity: 98.9
• Transport DOT Label: Corrosive

Purity/Quality:

99% ^*data from raw suppliers

Safty Information:

• Hazard Codes: Xn:Harmful
• Statements: R34:
• Safety Statements: S26:; S36/37/39:; S45:

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Chemical Classes: Other Classes -> Phenols
• Canonical SMILES: CC(C)C1=CC=CC=C1O

Technology Process of 2-Isopropylphenol

There total 92 articles about 2-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: 97.0%

1-benzyloxy-2-isopropylbenzene → 2-(1-methylethyl)phenol (88-69-7)

Guidance literature:

With potassium tert-butylate; diphenylphosphane; In N,N-dimethyl-formamide; at 80 ℃; for 12h; Sealed tube;

DOI:10.1039/d1ob01286j

Reference yield: 96.0%

1-bromo-2-isopropylbenzene (7073-94-1) → 2-(1-methylethyl)phenol (88-69-7)

Guidance literature:

With potassium hydroxide; tris-(dibenzylideneacetone)dipalladium⁽⁰⁾; tert-butyl XPhos; In 1,4-dioxane; water; at 100 ℃; for 6h;

DOI:10.1021/ja0639719

Reference yield: 96.0%

o-isopropylanisole (2944-47-0) → 2-(1-methylethyl)phenol (88-69-7)

Guidance literature:

With potassium tert-butylate; diphenylphosphane; In N,N-dimethyl-formamide; at 80 ℃; for 12h; Sealed tube;

DOI:10.1039/d1ob01286j

upstream raw materials:

propoxybenzene

isopropoxybenzene

2-isopropenylphenol

o-isopropylanisole

Downstream raw materials:

2-ethyl-6-isopropyl-phenol

2-iso-Propyl-4-aminophenol

Phenoxazoline hydrochloride

3-methyl-benzofuran

Refernces

• 1、 Pan, Wenjing,Li, Chenchen,Zhu, Haoyin,Li, Fangfang,Li, Tao,Zhao, Wanxiang. "A mild and practical method for deprotection of aryl methyl/benzyl/allyl ethers with HPPh2andtBuOK". . p. 7633 - 7640. Retrieved 2021/09/22.
• 2、 Anandababu, Karunanithi,Mayilmurugan, Ramasamy,Muthuramalingam, Sethuraman,Velusamy, Marappan. "Benzene Hydroxylation by Bioinspired Copper(II) Complexes: Coordination Geometry versus Reactivity". . p. 5918 - 5928. Retrieved 2020/04/20.