Benzenepropanol, 4-hydroxy-alpha,alpha-dimethyl-

Base Information

• Chemical Name: Benzenepropanol, 4-hydroxy-alpha,alpha-dimethyl-
• CAS No.: 4237-73-4
• Molecular Formula: C11H16O2
• Molecular Weight: 180.2435
• European Community (EC) Number: 636-980-7
• NSC Number: 57707
• DSSTox Substance ID: DTXSID30195175
• Nikkaji Number: J2.354.435K
• Wikidata: Q83068046
• Mol file: 4237-73-4.mol

Synonyms:4237-73-4;4-(3-hydroxy-3-methylbutyl)phenol;Benzenepropanol, 4-hydroxy-.alpha.,.alpha.-dimethyl-;Benzenepropanol, 4-hydroxy-alpha,alpha-dimethyl-;Phenol, p-(3-hydroxy-3-methylbutyl)-;NSC57707;2-Butanol, 4-(p-hydroxyphenyl)-2-methyl-;SCHEMBL7253631;DTXSID30195175;BGHHDJUQYBAXSB-UHFFFAOYSA-N;NSC 57707;NSC-57707;4-(3-hydroxy-3-methyl-butyl)phenol;AKOS024323033;Phenol, p-(3-hydroxy-3-methyl-butyl)-;4-hydroxy-alpha,alpha-dimethylbenzenepropanol;CS-0254029

Chemical Property of Benzenepropanol, 4-hydroxy-alpha,alpha-dimethyl-

Chemical Property:

• Vapor Pressure: 0.000124mmHg at 25°C
• Boiling Point: 321.3°Cat760mmHg
• Flash Point: 153.6°C
• Density: 1.074g/cm³
• XLogP3: 2.1
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 180.115029749
• Heavy Atom Count: 13
• Complexity: 146

Purity/Quality:

99%min ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CC(C)(CCC1=CC=C(C=C1)O)O

Technology Process of Benzenepropanol, 4-hydroxy-alpha,alpha-dimethyl-

There total 11 articles about Benzenepropanol, 4-hydroxy-alpha,alpha-dimethyl- 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: 74.0%

2-methyl-3-buten-2-ol (115-18-4) + phenol (108-95-2,27073-41-2) → 2,2-dimethylchroman (1198-96-5) + 4-(4-Hydroxyphenyl)-2-methyl-2-butanol (4237-73-4)

Guidance literature:

With phosphoric acid; at 20 ℃; for 12h;

Reference yield:

4-(3-methylbut-2-en-1-yl)phenol (1200-09-5) → 4-(4-Hydroxyphenyl)-2-methyl-2-butanol (4237-73-4)

Guidance literature:

With n-heptane; phosphoric acid;

DOI:10.1021/ja01545a043

Reference yield:

isoprene (78-79-5,9003-31-0) → 4-(4-Hydroxyphenyl)-2-methyl-2-butanol (4237-73-4)

Guidance literature:

Multi-step reaction with 2 steps

1: aqueous H₃PO₄; toluene

2: heptane; aqueous H₃PO₄

With n-heptane; phosphoric acid; toluene;

DOI:10.1021/ja01545a043

upstream raw materials:

4-(3-methylbut-2-en-1-yl)phenol

isoprene

phenol

methyl bromide

Downstream raw materials:

4-(3-methyl-3-butenyl)phenol

4-(3-amino-3-methylbutyl)phenol

(S)1-Benzyl-4-(3-[N-(3-[4-(4-carbamoylphenoxy)phenyl]-1,1-dimethylpropyl)amino]-2-hydroxypropoxy)pyrazole

Refernces

• 1、 Yi, Ce,Xing, Gang,Wang, Siqi,Li, Xiaoran,Liu, Yichuang,Li, Jinyan,Lin, Bin,Woo, Anthony Yiu-Ho,Zhang, Yuyang,Pan, Li,Cheng, Maosheng. "Design, synthesis and biological evaluation of 8-(2-amino-1-hydroxyethyl)-6-hydroxy-1,4-benzoxazine-3(4H)-one derivatives as potent β2-adrenoceptor agonists". . . Retrieved 2019/11/26.
• 2、 Akaji, Kenichi,Kiso, Yoshiaki,Carpino, Louis A.. "Fmoc-based Solid-phase Peptide Synthesis using a New t-Alcohol Type 4-(1',1'-Dimethyl-1'-hydroxypropyl)phenoxyacetyl Handle (DHPP)-Resin (Fmoc = fluoren-9-ylmethoxycarbonyl)". . p. 584 - 586. Retrieved 2007/10/02.