(n-formyl-5,7,8-trimethoxy-6-methyl-1,2,3,4-tetrahydro-1-isoquinolyl) Methyl Benzoate

Base Information

Chemical Name:(n-formyl-5,7,8-trimethoxy-6-methyl-1,2,3,4-tetrahydro-1-isoquinolyl) Methyl Benzoate
CAS No.:128252-84-6
Molecular Formula:C22H25 N O6
Molecular Weight:399.437
Hs Code.:
DSSTox Substance ID:DTXSID50926100
Mol file:128252-84-6.mol

Synonyms:128252-84-6;(n-formyl-5,7,8-trimethoxy-6-methyl-1,2,3,4-tetrahydro-1-isoquinolyl) Methyl Benzoate;DTXSID50926100;(2-Formyl-5,7,8-trimethoxy-6-methyl-1,2,3,4-tetrahydroisoquinolin-1-yl)methyl benzoate

Suppliers and Price of (n-formyl-5,7,8-trimethoxy-6-methyl-1,2,3,4-tetrahydro-1-isoquinolyl) Methyl Benzoate

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
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price

Total 1 raw suppliers

Chemical Property of (n-formyl-5,7,8-trimethoxy-6-methyl-1,2,3,4-tetrahydro-1-isoquinolyl) Methyl Benzoate

Chemical Property:

Vapor Pressure:5.52E-13mmHg at 25°C
Boiling Point:569.5°Cat760mmHg
Flash Point:298.2°C
Density:1.227g/cm³
XLogP3:3.1
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:7
Exact Mass:399.16818752
Heavy Atom Count:29
Complexity:551

Purity/Quality:: 85.0-99.8% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=C(C2=C(C(N(CC2)C=O)COC(=O)C3=CC=CC=C3)C(=C1OC)OC)OC

Technology Process of (n-formyl-5,7,8-trimethoxy-6-methyl-1,2,3,4-tetrahydro-1-isoquinolyl) Methyl Benzoate

There total 11 articles about (n-formyl-5,7,8-trimethoxy-6-methyl-1,2,3,4-tetrahydro-1-isoquinolyl) Methyl Benzoate 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: 74.0%

: 98-88-4
benzoyl chloride

: 124867-50-1
N-formyl-1-hydroxymethyl-5,7,8-trimethoxy-6-methyl-1,2,3,4-tetrahydroisoquinoline

: 128252-84-6
(N-formyl-5,7,8-trimethoxy-6-methyl-1,2,3,4-tetrahydro-1-isoquinolyl)methyl benzoate

Guidance literature:: With phenyllithium; In tetrahydrofuran; benzene; at -40 ℃; for 0.0833333h;
DOI:10.1248/cpb.34.4056

Reference yield:

: 77515-78-7
1-Hydroxymethyl-6-methyl-5,7,8-trimethoxyisoquinoline

: 128252-84-6
(N-formyl-5,7,8-trimethoxy-6-methyl-1,2,3,4-tetrahydro-1-isoquinolyl)methyl benzoate

Guidance literature:: Multi-step reaction with 3 steps

1: 81 percent / hydrogen / platinum (IV) dioxide / acetic acid / 5 h / 760 Torr

2: 95 percent / methanol / 12 h

3: 74 percent / 1.88 M phenyllithium / tetrahydrofuran; benzene / 0.08 h / -40 °C

With hydrogen; phenyllithium; platinum(IV) oxide; In tetrahydrofuran; methanol; acetic acid; benzene;
DOI:10.1248/cpb.34.4056

Reference yield:

: 86433-68-3
(5,7,8-trimethoxy-6-methyl-1-isoquinolyl)methyl benzoate

: 128252-84-6
(N-formyl-5,7,8-trimethoxy-6-methyl-1,2,3,4-tetrahydro-1-isoquinolyl)methyl benzoate

Guidance literature:: Multi-step reaction with 4 steps

1: 93 percent / KOH / methanol / 0.08 h / Heating

2: 81 percent / hydrogen / platinum (IV) dioxide / acetic acid / 5 h / 760 Torr

3: 95 percent / methanol / 12 h

4: 74 percent / 1.88 M phenyllithium / tetrahydrofuran; benzene / 0.08 h / -40 °C

With potassium hydroxide; hydrogen; phenyllithium; platinum(IV) oxide; In tetrahydrofuran; methanol; acetic acid; benzene;
DOI:10.1248/cpb.34.4056