3-Methylphenanthrene

Base Information

• Chemical Name: 3-Methylphenanthrene
• CAS No.: 832-71-3
• Molecular Formula: C15H12
• Molecular Weight: 192.26
• Hs Code.: 2902909090
• European Community (EC) Number: 212-623-7
• NSC Number: 408897
• UNII: 631K6Z695J
• DSSTox Substance ID: DTXSID7052731
• Nikkaji Number: J127.120B
• Wikidata: Q27263539
• Mol file: 832-71-3.mol

Synonyms:3-METHYLPHENANTHRENE;832-71-3;Phenanthrene, 3-methyl-;3-methyl-phenanthrene;UNII-631K6Z695J;EINECS 212-623-7;631K6Z695J;NSC 408897;NSC-408897;3-MethyIphenanthrene;NSC408897;DTXSID7052731;MFCD00216221;AKOS015905971;AS-57358;CS-0326325;FT-0633015;M0523;D91348;Q27263539

Chemical Property of 3-Methylphenanthrene

Chemical Property:

• Vapor Pressure: 7.27E-05mmHg at 25°C
• Melting Point: 63 °C
• Refractive Index: 1.6031 (estimate)
• Boiling Point: 370 °C
• Flash Point: 157.5°C
• PSA: 0.00000
• Density: 1.105g/cm³
• LogP: 4.30140
• XLogP3: 5.2
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 0
• Rotatable Bond Count: 0
• Exact Mass: 192.093900383
• Heavy Atom Count: 15
• Complexity: 220

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-Methylphenanthrene ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(C=C1)C=CC3=CC=CC=C32
• Uses: 3-Methylphenanthrene is a polycyclic aromatic hydrocarbon that has been found in urban dust particulate matter.

Technology Process of 3-Methylphenanthrene

There total 83 articles about 3-Methylphenanthrene 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%

(E)-5′-methyl-2′-styryl-[1,1′-biphenyl]-2-carbaldehyde → 3-methylphenathrene (832-71-3)

Guidance literature:

With phosphomolybdic acid; In 1,2-dichloro-ethane; at 25 ℃; for 12h; Sealed tube;

DOI:10.1021/acs.joc.1c02385

Reference yield: 90.0%

N-methyl-N-(phenylsulfonyl)-3-(p-tolyl)propiolamide → 3-methylphenathrene (832-71-3)

Guidance literature:

With morpholine; In toluene; at 20 ℃; for 1.2h; regioselective reaction; UV-irradiation;

DOI:10.1039/c7ra00193b

Reference yield: 88.0%

E-1-methyl-4-styryl-benzene (4714-21-0,130059-91-5,130059-95-9,1657-45-0,1860-17-9) → 3-methylphenathrene (832-71-3)

Guidance literature:

With iodine; In toluene; Irradiation; Inert atmosphere;

DOI:10.1016/j.crci.2017.03.008

upstream raw materials:

3-methyl-1,2,3,4,4a,9,10,10a-octahydro-phenanthrene

3-methyl-1,2,3,4-tetrahydro-phenanthrene

7'-methyl-3',4'-dihydro-1'H-spiro[cyclohexane-1,2'-naphthalene]

Opt_.-inakt. 4-Hydroxy-3-methyl-1.2.3.4-tetrahydro-phenanthren

Downstream raw materials:

1-(2-naphthyl)-2-(3-phenanthryl)ethylene

2-methylphenathrene

1-methylphenanthrene

9-methylphenanthrene

Refernces

• 1、 Chen, Yi,Jin, Yuan,Lin, Zhihua,Liu, Di,Shu, Mao,Tan, Jingyao,Tian, Lingfeng,Wang, Rui,Xu, Li,Zhang, Xiaoke. "Br?nsted Acid-Catalyzed Carbonyl-Olefin Metathesis: Synthesis of Phenanthrenes via Phosphomolybdic Acid as a Catalyst". . . Retrieved 2022/01/03.
• 2、 Fuchibe, Kohei,Takao, Go,Takahashi, Hiroki,Ijima, Shiori,Ichikawa, Junji. "Methylarene-based PAH synthesis via domino cyclization of 1, 1-difluoro-1-alkenes". . p. 2019 - 2029. Retrieved 2019/12/23.