Methyl 4-phenanthrenecarboxylate

Base Information

Chemical Name:Methyl 4-phenanthrenecarboxylate
CAS No.:18266-47-2
Molecular Formula:C16H12O2
Molecular Weight:236.27
Hs Code.:
NSC Number:139676
DSSTox Substance ID:DTXSID50300880
Nikkaji Number:J2.111.991A
Wikidata:Q82044287
Mol file:18266-47-2.mol

Synonyms:Methyl 4-phenanthrenecarboxylate;18266-47-2;SCHEMBL12486711;4-phenanthroic acid methyl ester;DTXSID50300880;YFZHEMZULMTHPM-UHFFFAOYSA-N;NSC139676;NSC-139676

Suppliers and Price of Methyl 4-phenanthrenecarboxylate

Supply Marketing:

Business phase:: The product has achieved commercial mass production^*data from LookChem market partment

Manufacturers and distributors:

Manufacture/Brand
Chemicals and raw materials
Packaging
price

Total 5 raw suppliers

Chemical Property of Methyl 4-phenanthrenecarboxylate

Chemical Property:

Vapor Pressure:8.81E-07mmHg at 25°C
Boiling Point:405.4°Cat760mmHg
Flash Point:194.3°C
Density:1.208g/cm³
XLogP3:4.3
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:2
Exact Mass:236.083729621
Heavy Atom Count:18
Complexity:312

Purity/Quality:: 99% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:COC(=O)C1=CC=CC2=C1C3=CC=CC=C3C=C2

Technology Process of Methyl 4-phenanthrenecarboxylate

There total 4 articles about Methyl 4-phenanthrenecarboxylate 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:

: 31456-98-1
methyl 3-allyl-salicylate

: 18266-47-2
phenanthrene-4-carboxylic acid methyl ester

Guidance literature:: Multi-step reaction with 2 steps

1.1: EtN-(i-Pr)2 / CH₂Cl₂ / 16 h / -78 - 20 °C

1.2: RhCl₃ / ethanol / 3.5 h / Heating

2.1: t-BuOK / Pd(PPh₃)4 / 1,2-dimethoxy-ethane; H₂O / 17 h / Heating

2.2: second generation Grubbs catalyst / CH₂Cl₂ / 18 h / Heating

With potassium tert-butylate; N-ethyl-N,N-diisopropylamine; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In 1,2-dimethoxyethane; dichloromethane; water;
DOI:10.1016/j.tetlet.2005.07.084

Reference yield:

: 119-36-8,8024-54-2
methyl salicylate

: 18266-47-2
phenanthrene-4-carboxylic acid methyl ester

Guidance literature:: Multi-step reaction with 3 steps

1.1: K₂CO₃ / acetone / 16 h / Heating

1.2: 3 h / 210 °C

2.1: EtN-(i-Pr)2 / CH₂Cl₂ / 16 h / -78 - 20 °C

2.2: RhCl₃ / ethanol / 3.5 h / Heating

3.1: t-BuOK / Pd(PPh₃)4 / 1,2-dimethoxy-ethane; H₂O / 17 h / Heating

3.2: second generation Grubbs catalyst / CH₂Cl₂ / 18 h / Heating

With potassium tert-butylate; potassium carbonate; N-ethyl-N,N-diisopropylamine; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In 1,2-dimethoxyethane; dichloromethane; water; acetone;
DOI:10.1016/j.tetlet.2005.07.084

Reference yield:

: 866528-96-3
3-((E)-Propenyl)-2-trifluoromethanesulfonyloxy-benzoic acid methyl ester

: 15016-42-9
2-vinylbenzeneboronic acid

: 18266-47-2
phenanthrene-4-carboxylic acid methyl ester

Guidance literature:: 3-((E)-Propenyl)-2-trifluoromethanesulfonyloxy-benzoic acid methyl ester; 2-vinylbenzeneboronic acid; With potassium tert-butylate; tetrakis(triphenylphosphine) palladium⁽⁰⁾; In 1,2-dimethoxyethane; water; for 17h; Heating;

tricyclohexylphosphine[1,3-bis(2,4,6-trimethylphenyl)-4,5-dihydroimidazol-2-ylidine][benzylidene]ruthenium(II) dichloride; In dichloromethane; for 18h; Heating;
DOI:10.1016/j.tetlet.2005.07.084