7-Methyl-1,2,3,4-tetrahydroisoquinoline

Base Information

• Chemical Name: 7-Methyl-1,2,3,4-tetrahydroisoquinoline
• CAS No.: 207451-81-8
• Molecular Formula: C10H13N
• Molecular Weight: 147.22
• Hs Code.: 2933499090
• European Community (EC) Number: 822-880-2
• ChEMBL ID: CHEMBL26711
• DSSTox Substance ID: DTXSID30550023
• Nikkaji Number: J1.060.921F
• Wikidata: Q72506146
• Mol file: 207451-81-8.mol

Synonyms:7-methyl-1,2,3,4-tetrahydroisoquinoline;207451-81-8;7-Methyl-1,2,3,4-tetrahydro-isoquinoline;ISOQUINOLINE, 1,2,3,4-TETRAHYDRO-7-METHYL-;CHEMBL26711;MFCD03004622;SCHEMBL3240344;DTXSID30550023;FCTMZZUXBMQAER-UHFFFAOYSA-N;BDBM50072981;AKOS004121649;AB12958;AM803489;DS-11180;SY110782;CS-0018990;EN300-148500;A814857;J-519305

Chemical Property of 7-Methyl-1,2,3,4-tetrahydroisoquinoline

Chemical Property:

• Vapor Pressure: 0.023mmHg at 25°C
• Refractive Index: 1.54
• Boiling Point: 249.649 °C at 760 mmHg
• PKA: 9.96±0.20(Predicted)
• Flash Point: 107.944 °C
• PSA: 12.03000
• Density: 0.991g/cm³
• LogP: 1.96950
• Storage Temp.: 2-8°C(protect from light)
• XLogP3: 1.9
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 0
• Exact Mass: 147.104799419
• Heavy Atom Count: 11
• Complexity: 133

Purity/Quality:

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

7-methyl-1,2,3,4-tetrahydroisoquinoline ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC1=CC2=C(CCNC2)C=C1

Technology Process of 7-Methyl-1,2,3,4-tetrahydroisoquinoline

There total 10 articles about 7-Methyl-1,2,3,4-tetrahydroisoquinoline 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:

2-(p-tolyl)ethylamine (3261-62-9) → 7-methyl-1,2,3,4-tetrahydroisoquinoline (207451-81-8)

Guidance literature:

Multi-step reaction with 3 steps

1: H₂SO₄; AcOH / ethanol / 20 °C

2: HCl / ethanol / Heating

With hydrogenchloride; sulfuric acid; acetic acid; In ethanol;

DOI:10.1016/S0968-0896(01)00236-X

Reference yield:

1-(7-Methyl-3,4-dihydro-1H-isoquinolin-2-yl)-ethanone (207451-83-0) → 7-methyl-1,2,3,4-tetrahydroisoquinoline (207451-81-8)

Guidance literature:

With hydrogenchloride; In ethanol; Heating;

DOI:10.1016/S0968-0896(01)00236-X

Reference yield:

(Z)-1-methyl-4-(2-nitrovinyl)benzene (101671-00-5,5153-68-4) → 7-methyl-1,2,3,4-tetrahydroisoquinoline (207451-81-8)

Guidance literature:

Multi-step reaction with 4 steps

1: LiAlH₄ / diethyl ether / Heating

2: H₂SO₄; AcOH / ethanol / 20 °C

3: HCl / ethanol / Heating

With hydrogenchloride; lithium aluminium tetrahydride; sulfuric acid; acetic acid; In diethyl ether; ethanol;

DOI:10.1016/S0968-0896(01)00236-X

upstream raw materials:

2-benzenesulfonyl-7-methyl-1,2,3,4-tetrahydro-isoquinoline

1-(7-Methyl-3,4-dihydro-1H-isoquinolin-2-yl)-ethanone

(Z)-1-methyl-4-(2-nitrovinyl)benzene

N-[2-(p-tolyl)ethyl] acetamide

Downstream raw materials:

1-(7-Methyl-3,4-dihydro-1H-isoquinolin-2-yl)-ethanone

5-(3,4-Dimethoxybenzylamino)-2-(2-furyl)-8-(7-methyl-1,2,3,4-tetrahydroisoquinolin-2-ylmethyl)[1,2,4]triazolo[1,5-c]pyrimidine

C₂₉H₂₅ClN₆O₄

Refernces

• 1、 Bojarski, Andrzej J,Mokrosz, Maria J,Minol, Sijka Charakchieva,Koziol, Aneta,Wesolowska, Anna,Tatarczynska, Ewa,Klodzinska, Aleksandra,Chojnacka-Wojcik, Ewa. "The influence of substitution at aromatic part of 1,2,3,4-tetrahydroisoquinoline on in vitro and in vivo 5-HT1A/5-HT2A receptor activities of its 1-adamantoyloaminoalkyl derivatives". . p. 87 - 95. Retrieved 2007/10/03.