3-METHYL-2-NAPHTHOL

Base Information

• Chemical Name: 3-METHYL-2-NAPHTHOL
• CAS No.: 17324-04-8
• Molecular Formula: C11H10 O
• Molecular Weight: 158.2
• Hs Code.: 2907199090
• European Community (EC) Number: 241-346-4
• UNII: M6G99CDT8G
• DSSTox Substance ID: DTXSID70169557
• Nikkaji Number: J287.007J
• Wikidata: Q83039275
• Mol file: 17324-04-8.mol

Synonyms:2-Naphthol,3-methyl- (7CI,8CI); 3-Methyl-2-naphthol

Chemical Property of 3-METHYL-2-NAPHTHOL

Chemical Property:

• Vapor Pressure: 0.00049mmHg at 25°C
• Melting Point: 155-156 °C(Solv: xylene (1330-20-7))
• Boiling Point: 304.3°Cat760mmHg
• PKA: 9.91±0.40(Predicted)
• Flash Point: 147.1°C
• PSA: 20.23000
• Density: 1.144g/cm³
• LogP: 2.85380
• Storage Temp.: Sealed in dry,Room Temperature
• XLogP3: 3.2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 158.073164938
• Heavy Atom Count: 12
• Complexity: 155

Purity/Quality:

99% ^*data from raw suppliers

3-methylnaphthalen-2-ol ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=CC=CC=C2C=C1O

Technology Process of 3-METHYL-2-NAPHTHOL

There total 27 articles about 3-METHYL-2-NAPHTHOL 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: 94.0%

3-methoxy-2-methylnaphthalene (61873-80-1) → 3-methyl-naphthalen-2-ol (17324-04-8)

Guidance literature:

With hydrogen bromide; In acetic acid; at 120 ℃; for 16h; Inert atmosphere; Schlenk technique; Darkness;

DOI:10.1021/acs.organomet.9b00660

Reference yield: 94.0%

4-Benzenesulfonyl-2-methyl-3-oxo-1,2,3,4-tetrahydro-naphthalene-2-carboxylic acid methyl ester (96964-52-2) → 3-methyl-naphthalen-2-ol (17324-04-8)

Guidance literature:

With 2,6-dimethylpyridine; lithium iodide; at 150 ℃; for 1h;

DOI:10.1021/jo00218a022

Reference yield: 42.0%

1-ethynyl-2-(prop-1-enyl)benzene (221230-39-3) → 3-methyl-naphthalen-2-ol (17324-04-8)

Guidance literature:

With pyridine N-oxide; chlorobis(ethylene)rhodium(I) dimer; sodium tetrakis[(3,5-di-trifluoromethyl)phenyl]borate; In chlorobenzene; at 100 ℃; for 10h; Reagent/catalyst; Temperature; Inert atmosphere; Sealed tube;

DOI:10.1021/acs.orglett.8b02786

upstream raw materials:

3-methoxy-2-methylnaphthalene

3-methyl-5,6,7,8-tetrahydronaphthalen-2-ol

3-hydroxymethyl-2-naphthol

3-Methyl-4,6,7,8-tetrahydro-2(3H)-naphthalenone

Downstream raw materials:

Ethyl 2-(1'-(2-methoxyphenyl)-naphtho<2,1-b>pyrrol-2'-yl)cinnamate

Ethyl 2-(1'-(2-methoxyphenyl)-4'-methyl-naphtho<2,1-b>pyrrol-2'-yl)-cinnamate

(S)-1-(1-chloro-3-methylnaphthalen-2-yl)-2-(trityloxy)ethanol

(R)-2-(1-chloro-3-methylnaphthalen-2-yl)-2-hydroxyethyl 4-methylbenzenesulfonate

Refernces

• 1、 Mangin, Lo?c P.,Zargarian, Davit. "C-H Nickelation of Naphthyl Phosphinites: Electronic and Steric Limitations, Regioselectivity, and Tandem C-P Functionalization". . p. 4687 - 4700. Retrieved 2019.
• 2、 Rong, Ming-Guang,Qin, Tian-Zhu,Liu, Xin-Rui,Wang, Hong-Fa,Zi, Weiwei. "De Novo Synthesis of Phenols and Naphthols through Oxidative Cycloaromatization of Dienynes". supporting information. p. 6289 - 6293. Retrieved 2018/10/09.