(S)-3,4,5,6,7,8-Hexahydro-1-[(4-methoxyphenyl)methyl](1H)-isoquinoline-2-carbaldehyde

Base Information

Chemical Name:(S)-3,4,5,6,7,8-Hexahydro-1-[(4-methoxyphenyl)methyl](1H)-isoquinoline-2-carbaldehyde
CAS No.:29144-31-8
Molecular Formula:C18H23 N O2
Molecular Weight:285.386
Hs Code.:2933499090
European Community (EC) Number:249-471-6
Nikkaji Number:J250.778A
Mol file:29144-31-8.mol

Synonyms:29144-31-8;(S)-3,4,5,6,7,8-Hexahydro-1-[(4-methoxyphenyl)methyl](1H)-isoquinoline-2-carbaldehyde;(S)-1-(4-Methoxybenzyl)-3,4,5,6,7,8-hexahydroisoquinoline-2(1H)-carbaldehyde;(1S)-1-[(4-METHOXYPHENYL)METHYL]-3,4,5,6,7,8-HEXAHYDRO-1H-ISOQUINOLINE-2-CARBALDEHYDE;N-Formyl Octabase;51773-23-0;(1S)-1-[(4-methoxyphenyl)methyl]-1,2,3,4,5,6,7,8-octahydroisoquinoline-2-carbaldehyde;XSOPBBOEINVWML-SFHVURJKSA-N;(1S)-1-[(4-methoxyphenyl)methyl]-3, 4, 5, 6, 7, 8-hexahydro-1H-isoquinoline-2-carbaldehyde;2(1H)-Isoquinolinecarboxaldehyde, 3,4,5,6,7,8-hexahydro-1-[(4-methoxyphenyl)methyl]-, (S)- (9CI)

Suppliers and Price of (S)-3,4,5,6,7,8-Hexahydro-1-[(4-methoxyphenyl)methyl](1H)-isoquinoline-2-carbaldehyde

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

TRC
N-FormylOctabase
250mg
$ 1455.00

Total 30 raw suppliers

Chemical Property of (S)-3,4,5,6,7,8-Hexahydro-1-[(4-methoxyphenyl)methyl](1H)-isoquinoline-2-carbaldehyde

Chemical Property:

Vapor Pressure:6.89E-09mmHg at 25°C
Boiling Point:466.8°Cat760mmHg
PKA:-0.81±0.40(Predicted)
Flash Point:236.1°C
PSA：29.54000
Density:1.13g/cm³
LogP:3.91280
XLogP3:2.9
Hydrogen Bond Donor Count:0
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:3
Exact Mass:285.172878976
Heavy Atom Count:21
Complexity:396

Purity/Quality:

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

N-FormylOctabase ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC1=CC=C(C=C1)CC2C3=C(CCCC3)CCN2C=O
Isomeric SMILES:COC1=CC=C(C=C1)C[C@H]2C3=C(CCCC3)CCN2C=O
Uses N-Formyl Octabase is used in the synthertic preparation of morphinans and isoquinoline alkaloids.

Technology Process of (S)-3,4,5,6,7,8-Hexahydro-1-[(4-methoxyphenyl)methyl](1H)-isoquinoline-2-carbaldehyde

There total 20 articles about (S)-3,4,5,6,7,8-Hexahydro-1-[(4-methoxyphenyl)methyl](1H)-isoquinoline-2-carbaldehyde 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: 99.0%

: 94992-57-1,97232-75-2
(-)-octabase mandelate salt

: 109-94-4
formic acid ethyl ester

: 29144-31-8
(S)-2-Formyl-1-<(4-methoxyphenyl)methyl>-1,2,3,4,5,6,7,8-octahydroispquinoline

Guidance literature:: for 48h; Reflux;
DOI:10.1021/op400309q

Reference yield: 95.0%

: 64-18-6
formic acid

: 30356-07-1,57849-23-7
(1S)-1-[(4-methoxyphenyl)methyl]-1,2,3,4,5,6,7,8-octahydroisoquinoline

: 29144-31-8
(S)-2-Formyl-1-<(4-methoxyphenyl)methyl>-1,2,3,4,5,6,7,8-octahydroispquinoline

Guidance literature:: In toluene; Reflux;
DOI:10.1007/s11164-016-2723-4

Reference yield:

: 116172-20-4
(Z)-2-Formyl-1-<(4-methoxyphenyl)methylene>-1,2,3,4,5,6,7,8-octahydroisoquinoline

: 29144-31-8
(S)-2-Formyl-1-<(4-methoxyphenyl)methyl>-1,2,3,4,5,6,7,8-octahydroispquinoline

: 51773-23-0
(R)-2-Formyl-1-<(4-methoxyphenyl)methyl>-1,2,3,4,5,6,7,8-octahydroispquinoline

Guidance literature:: With ; hydrogen; In methanol; at 100 ℃; for 24h; under 45003.6 Torr; Yield given. Yields of byproduct given. Title compound not separated from byproducts;
DOI:10.1016/S0957-4166(00)82157-6