1-Methoxyphenanthrene

Base Information

• Chemical Name: 1-Methoxyphenanthrene
• CAS No.: 834-99-1
• Molecular Formula: C15H12 O
• Molecular Weight: 208.26
• Hs Code.: 2909309090
• DSSTox Substance ID: DTXSID10210012
• Nikkaji Number: J101.757H
• Wikidata: Q27103304
• Metabolomics Workbench ID: 51443
• Mol file: 834-99-1.mol

Synonyms:1-Methoxyphenanthrene;834-99-1;Phenanthrene, methoxy-;61128-87-8;METHOXYPHENANTHRENE;methyl 1-phenanthryl ether;Phenanthrene, 1-methoxy-;1-Methoxyphenanthrene #;Methyl-1-phenanthryl ether;SCHEMBL1005616;CHEBI:27753;DTXSID10210012;Q27103304

Chemical Property of 1-Methoxyphenanthrene

Chemical Property:

• Vapor Pressure: 1.67E-05mmHg at 25°C
• Boiling Point: 375.5°C at 760 mmHg
• Flash Point: 150.8°C
• PSA: 9.23000
• Density: 1.146g/cm³
• LogP: 4.00160
• XLogP3: 4.9
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 208.088815002
• Heavy Atom Count: 16
• Complexity: 238

Purity/Quality:

99.3% ^*data from raw suppliers

1-METHOXYPHENANTHRENE 98.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: COC1=CC=CC2=C1C=CC3=CC=CC=C32

Technology Process of 1-Methoxyphenanthrene

There total 44 articles about 1-Methoxyphenanthrene 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: 100.0%

2,2'-divinyl-5-methoxybiphenyl (790220-98-3) → 1-methoxyphenanthrene (834-99-1)

Guidance literature:

RuCl₂(P(C₆H₁₁)3)(1,3-dimesityl-4,5-dihydroimidazol-2-ylidene)(=CHC₆H₅); In dichloromethane; at 40 ℃; for 2h;

DOI:10.1021/ol048668w

Reference yield: 99.0%

4-iodoanisol (529-28-2) + bicyclo[2.2.1]hepta-2,5-diene (121-46-0) + 2-bromobenzoic-acid (88-65-3) → 1-methoxyphenanthrene (834-99-1)

Guidance literature:

With palladium diacetate; caesium carbonate; tricyclohexylphosphine; In 1,4-dioxane; at 130 ℃; for 18h; Schlenk technique; Sealed tube; Inert atmosphere;

DOI:10.1002/anie.201703551

Reference yield: 97.0%

8-methoxy-phenanthren-9-yl trifluoromethanesulfonate (292863-27-5) → 1-methoxyphenanthrene (834-99-1)

Guidance literature:

With palladium diacetate; formic acid; triphenylphosphine; In N,N-dimethyl-formamide; at 60 - 70 ℃;

DOI:10.1139/v00-055

upstream raw materials:

8-methoxy-phenanthrene-9-carboxylic acid

8-methoxy-1,2,3,4-tetrahydrophenanthrene

1-phenanthrenol

dimethyl sulfate

Refernces

• 1、 Zhong, Yue,Wu, Wen-Yu,Yu, Shao-Peng,Fan, Tian-Yuan,Yu, Hai-Tao,Li, Nian-Guang,Shi, Zhi-Hao,Tang, Yu-Ping,Duan, Jin-Ao. "A novel and efficient synthesis of phenanthrene derivatives via palladium/norbornadiene-catalyzed domino one-pot reaction". supporting information. p. 291 - 298. Retrieved 2019/02/20.
• 2、 Binder, Randall J.,Hatfield, M. Jason,Chi, Liying,Potter, Philip M.. "Facile synthesis of 1,2-dione-containing abietane analogues for the generation of human carboxylesterase inhibitors". supporting information. p. 79 - 89. Retrieved 2018/03/06.