7-Methylisoquinoline

Base Information

• Chemical Name: 7-Methylisoquinoline
• CAS No.: 54004-38-5
• Molecular Formula: C10H9 N
• Molecular Weight: 143.188
• Hs Code.: 2933499090
• European Community (EC) Number: 258-913-7
• UNII: 4P8C8S39D2
• DSSTox Substance ID: DTXSID20202322
• Nikkaji Number: J101.282G
• Wikidata: Q72492275
• Mol file: 54004-38-5.mol

Synonyms:7-Methylisoquinoline;54004-38-5;Isoquinoline, 7-methyl-;EINECS 258-913-7;7-Methyl-isoquinoline;7-methyl isoquinoline;7-Methylisoquinoline #;SCHEMBL761399;DTXSID20202322;4P8C8S39D2;AMY13871;AKOS006324996;AS-57421;FT-0715314;EN300-86212;F81402;A829901;Z1198320696

Chemical Property of 7-Methylisoquinoline

Chemical Property:

• Vapor Pressure: 0.0443mmHg at 25°C
• Melting Point: 67-68 °C
• Boiling Point: 245.7°Cat760mmHg
• PKA: 5.63±0.10(Predicted)
• Flash Point: 99.7°C
• PSA: 12.89000
• Density: 1.076g/cm³
• LogP: 2.54320
• XLogP3: 2.4
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 143.073499291
• Heavy Atom Count: 11
• Complexity: 133

Purity/Quality:

98%min ^*data from raw suppliers

7-Methylisoquinoline ^*data from reagent suppliers

Safty Information:

• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(C=C1)C=CN=C2

Technology Process of 7-Methylisoquinoline

There total 6 articles about 7-Methylisoquinoline 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-chloro-7-methylisoquinoline (24188-80-5) → 7-methyl isoquinoline (54004-38-5)

Guidance literature:

With phosphorus; hydrogen iodide; at 180 ℃; im Rohr;

Reference yield:

formic acid-(β-hydroxy-4-methyl-phenethylamide) (102014-89-1) → 7-methyl isoquinoline (54004-38-5)

Guidance literature:

With phosphorus pentoxide; xylene; trichlorophosphate;

Reference yield:

N-(2-oxo-2-(p-tolyl)ethyl)formamide (99060-14-7) → 7-methyl isoquinoline (54004-38-5)

Guidance literature:

Multi-step reaction with 2 steps

1: aluminium isopropylate; isopropyl alcohol

2: phosphorus (V)-oxide; phosphoryl chloride; xylene

With phosphorus pentoxide; aluminum isopropoxide; isopropyl alcohol; xylene; trichlorophosphate;

upstream raw materials:

1-chloro-7-methylisoquinoline

formic acid-(β-hydroxy-4-methyl-phenethylamide)

5-methyl-1H-indene

hydrogen iodide

Downstream raw materials:

isoquinoline-7-carboxaldehyde

(S)-phenyl 1-((S)-2-(4-methoxyphenyl)-4-methyl-5-oxo-4,5-dihydrooxazol-4-yl)-7-methylisoquinoline-2(1H)-carboxylate

Refernces