1-(Carboxymethyl)-6-methoxy-2-methyl-1,2,3,4-tetrahydrophenanthrene-2-carboxylic acid

Base Information

• Chemical Name: 1-(Carboxymethyl)-6-methoxy-2-methyl-1,2,3,4-tetrahydrophenanthrene-2-carboxylic acid
• CAS No.: 7471-40-1
• Molecular Formula: C₁₉H₂₀O₅
• Molecular Weight: 328.365
• NSC Number: 403587,51552
• DSSTox Substance ID: DTXSID00984997
• Mol file: 7471-40-1.mol

Synonyms:6636-46-0;NSC51552;DTXSID00984997;NSC-51552;NSC403587;NSC-403587;7471-40-1;1-(CARBOXYMETHYL)-6-METHOXY-2-METHYL-1,2,3,4-TETRAHYDROPHENANTHRENE-2-CARBOXYLIC ACID

Chemical Property of 1-(Carboxymethyl)-6-methoxy-2-methyl-1,2,3,4-tetrahydrophenanthrene-2-carboxylic acid

Chemical Property:

• Vapor Pressure: 1.53E-14mmHg at 25°C
• Boiling Point: 585.3°C at 760 mmHg
• Flash Point: 213.8°C
• Density: 1.276g/cm³
• XLogP3: 3
• Hydrogen Bond Donor Count: 2
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 4
• Exact Mass: 328.13107373
• Heavy Atom Count: 24
• Complexity: 504

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1(CCC2=C(C1CC(=O)O)C=CC3=C2C=C(C=C3)OC)C(=O)O

Technology Process of 1-(Carboxymethyl)-6-methoxy-2-methyl-1,2,3,4-tetrahydrophenanthrene-2-carboxylic acid

There total 2 articles about 1-(Carboxymethyl)-6-methoxy-2-methyl-1,2,3,4-tetrahydrophenanthrene-2-carboxylic acid 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:

(1-hydroxy-6-methoxy-2-methoxycarbonyl-2-methyl-1,2,3,4-tetrahydro-[1]phenanthryl)-acetic acid methyl ester (6636-50-6) → (2-carboxy-6-methoxy-2-methyl-1,2,3,4-tetrahydro-[1]phenanthryl)-acetic acid (7471-40-1,6636-46-0)

Guidance literature:

With pyridine; thionyl chloride; benzene; anschliessendes Erwaermen des Reaktionsprodukts mit methanol. Kalilauge und Schuetteln einer Loesung der erhaltenen Saeure in Wasser mit Natrium-Amalgam; Reinigung ueber den Dimethylester;

DOI:10.1021/ja01193a014

Reference yield:

6-methoxy-2-methyl-1-oxo-1,2,3,4-tetrahydro-phenanthrene-2-carboxylic acid methyl ester (7471-38-7) → (2-carboxy-6-methoxy-2-methyl-1,2,3,4-tetrahydro-[1]phenanthryl)-acetic acid (7471-40-1,6636-46-0)

Guidance literature:

Multi-step reaction with 2 steps

1: zinc

2: thionyl chloride; pyridine; benzene / anschliessendes Erwaermen des Reaktionsprodukts mit methanol. Kalilauge und Schuetteln einer Loesung der erhaltenen Saeure in Wasser mit Natrium-Amalgam; Reinigung ueber den Dimethylester

With pyridine; thionyl chloride; zinc; benzene;

DOI:10.1021/ja01193a014

upstream raw materials:

(1-hydroxy-6-methoxy-2-methoxycarbonyl-2-methyl-1,2,3,4-tetrahydro-[1]phenanthryl)-acetic acid methyl ester

6-methoxy-2-methyl-1-oxo-1,2,3,4-tetrahydro-phenanthrene-2-carboxylic acid methyl ester