3-(3-(((1-Allylpyrrolidin-2-yl)methyl)carbamoyl)-4-methoxyphenyl)propyl 4-methylbenzenesulfonate

Base Information

Chemical Name:3-(3-(((1-Allylpyrrolidin-2-yl)methyl)carbamoyl)-4-methoxyphenyl)propyl 4-methylbenzenesulfonate
CAS No.:713135-14-9
Molecular Formula:C₂₆H₃₄N₂O₅S
Molecular Weight:486.632
Hs Code.:
DSSTox Substance ID:DTXSID20458201
Mol file:713135-14-9.mol

Synonyms:713135-14-9;3-(3-(((1-Allylpyrrolidin-2-yl)methyl)carbamoyl)-4-methoxyphenyl)propyl 4-methylbenzenesulfonate;DTXSID20458201;AG-G-79200

Suppliers and Price of 3-(3-(((1-Allylpyrrolidin-2-yl)methyl)carbamoyl)-4-methoxyphenyl)propyl 4-methylbenzenesulfonate

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

American Custom Chemicals Corporation
TOSYL-DESMETHOXYFALLYPRIDE 95.00%
5MG
$ 505.42

Total 1 raw suppliers

Chemical Property of 3-(3-(((1-Allylpyrrolidin-2-yl)methyl)carbamoyl)-4-methoxyphenyl)propyl 4-methylbenzenesulfonate

Chemical Property:

PSA：93.32000
LogP:5.13150
XLogP3:4.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:6
Rotatable Bond Count:12
Exact Mass:486.21884336
Heavy Atom Count:34
Complexity:745

Purity/Quality:

99% ^*data from raw suppliers

TOSYL-DESMETHOXYFALLYPRIDE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:CC1=CC=C(C=C1)S(=O)(=O)OCCCC2=CC(=C(C=C2)OC)C(=O)NCC3CCCN3CC=C

Technology Process of 3-(3-(((1-Allylpyrrolidin-2-yl)methyl)carbamoyl)-4-methoxyphenyl)propyl 4-methylbenzenesulfonate

There total 7 articles about 3-(3-(((1-Allylpyrrolidin-2-yl)methyl)carbamoyl)-4-methoxyphenyl)propyl 4-methylbenzenesulfonate 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: 85.0%

: 4124-41-8
p-toluenesulfonylanhydride

: N-(1-allyl-pyrrolidin-2-ylmethyl)-5-(3-hydroxy-propyl)-2-methoxy-benzamide

: 713135-14-9
toluene-4-sulfonic acid 3-{3-[(1-allyl-pyrrolidin-2-ylmethyl)-carbamoyl]-4-methoxy-phenyl}-propyl ester

Guidance literature:: With ytterbium(III) triflate; In dichloromethane; at 20 ℃; for 12h;
DOI:10.1055/s-2004-815998

Reference yield: 70.0%

: 98-59-9
p-toluenesulfonyl chloride

: 956220-35-2
(S)-N-[(1-allyl-2-pyrrolidinyl)methyl]-5-(3-hydroxypropyl)-2-methoxybenzamide

: 713135-14-9
3-(3-(((S)-1-allylpyrrolidin-2-yl)methylcarbamoyl)-4-methoxyphenyl)propyl-4-methylbenzenesulfonate

Guidance literature:: With pyridine; In dichloromethane; at 0 - 5 ℃; for 2h; ambient temp. 3 h;

Reference yield:

: 66411-51-6
1-[(S)-1-allylpyrrolidin-2-yl]methanamine

: 713135-14-9
3-(3-(((S)-1-allylpyrrolidin-2-yl)methylcarbamoyl)-4-methoxyphenyl)propyl-4-methylbenzenesulfonate

Guidance literature:: Multi-step reaction with 2 steps

1: TSTU

2: pyridine / CH₂Cl₂

With pyridine; O-(N-succinimidyl)-N,N,N',N'-tetramethyluronium tetrafluoroborate; In dichloromethane; 1: Condensation / 2: Tosylation;