CID 9982135

Base Information

Chemical Name:CID 9982135
CAS No.:289903-41-9
Molecular Formula:C₂₈H₃₉NO₅
Molecular Weight:469.621
Hs Code.:
DSSTox Substance ID:DTXSID70433629
ChEMBL ID:CHEMBL1277576

Synonyms:PSY-279;289903-41-9;CHEMBL1277576;[2-[(4-tert-butylphenyl)methyl]-3-[[2-(4-hydroxy-3-methoxyphenyl)acetyl]amino]propyl] 2,2-dimethylpropanoate;Propanoic acid, 2,2-dimethyl-, 3-[4-(1,1-dimethylethyl)phenyl]-2-[[[2-(4-hydroxy-3-methoxyphenyl)acetyl]amino]methyl]propyl ester;CID 9982135;SCHEMBL6377282;DTXSID70433629;BDBM50330654;N-[2-(4-t-butylbenzyl)-3-(pivaloyloxy)propyl]-2-(4-hydroxy-3-methoxyphenyl)acetamide;N-[3-pivaloyloxy-2-(4-t-butylbenzyl)propyl]-2-(4-hydroxy-3-methoxyphenyl)acetamide

Suppliers and Price of CID 9982135

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

Total 1 raw suppliers

Chemical Property of CID 9982135

Chemical Property:

XLogP3:5.9
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:12
Exact Mass:469.28282334
Heavy Atom Count:34
Complexity:642

Purity/Quality:: 97% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CC(C)(C)C1=CC=C(C=C1)CC(CNC(=O)CC2=CC(=C(C=C2)O)OC)COC(=O)C(C)(C)C

Technology Process of CID 9982135

There total 4 articles about CID 9982135 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: 70.0%

: 289903-41-9
N-[3-pivaloyloxy-2-(4-t-butylbenzyl)propyl]-2-(4-hydroxy-3-methoxyphenyl)acetamide

Guidance literature:

Reference yield:

: 289903-22-6
3-azido-2-(4-t-butylbenzyl)propyl pivalate

: 289903-41-9
N-[3-pivaloyloxy-2-(4-t-butylbenzyl)propyl]-2-(4-hydroxy-3-methoxyphenyl)acetamide

Guidance literature:: Multi-step reaction with 2 steps

1: hydrogen / 5 percent palladium on carbon / methanol / 2 h

2: CH₂Cl₂ / 20 °C

With hydrogen; palladium on activated charcoal; In methanol; dichloromethane;
DOI:10.1016/S0968-0896(01)00387-X

Reference yield:

: 306-08-1
Homovanillic acid

: 289903-41-9
N-[3-pivaloyloxy-2-(4-t-butylbenzyl)propyl]-2-(4-hydroxy-3-methoxyphenyl)acetamide

Guidance literature:: Multi-step reaction with 2 steps

1: 1,3-dicyclohexylcarbodiimide

2: CH₂Cl₂ / 20 °C

With dicyclohexyl-carbodiimide; In dichloromethane;
DOI:10.1016/S0968-0896(01)00387-X