3-(Pyrrolidin-1-ylcarbonyl)-1,2,3,4-tetrahydroisoquinoline

Base Information

Chemical Name:3-(Pyrrolidin-1-ylcarbonyl)-1,2,3,4-tetrahydroisoquinoline
CAS No.:135709-66-9
Molecular Formula:C₁₄H₁₈N₂O
Molecular Weight:230.31
Hs Code.:2933990090
DSSTox Substance ID:DTXSID20576999
Mol file:135709-66-9.mol

Synonyms:135709-66-9;3-(pyrrolidin-1-ylcarbonyl)-1,2,3,4-tetrahydroisoquinoline;Pyrrolidin-1-yl(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone;SCHEMBL8312865;DTXSID20576999;AKOS000206327;AKOS022181038;EN300-26958;J-006761;Z235343017;3-(pyrrolidine-1-carbonyl)-1,2,3,4-tetrahydroisoquinoline;(Pyrrolidin-1-yl)(1,2,3,4-tetrahydroisoquinolin-3-yl)methanone

Suppliers and Price of 3-(Pyrrolidin-1-ylcarbonyl)-1,2,3,4-tetrahydroisoquinoline

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
3-(PYRROLIDIN-1-YLCARBONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE 95.00%
5G
$ 1548.26

American Custom Chemicals Corporation
3-(PYRROLIDIN-1-YLCARBONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE 95.00%
2.5G
$ 1227.82

American Custom Chemicals Corporation
3-(PYRROLIDIN-1-YLCARBONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE 95.00%
1G
$ 852.55

Total 5 raw suppliers

Chemical Property of 3-(Pyrrolidin-1-ylcarbonyl)-1,2,3,4-tetrahydroisoquinoline

Chemical Property:

Boiling Point:426.2±45.0 °C(Predicted)
PKA:8.18±0.40(Predicted)
PSA：32.34000
Density:1.155±0.06 g/cm3(Predicted)
LogP:1.59000
XLogP3:1.4
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:2
Rotatable Bond Count:1
Exact Mass:230.141913202
Heavy Atom Count:17
Complexity:286

Purity/Quality:

97% ^*data from raw suppliers

3-(PYRROLIDIN-1-YLCARBONYL)-1,2,3,4-TETRAHYDROISOQUINOLINE 95.00% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1CCN(C1)C(=O)C2CC3=CC=CC=C3CN2

Technology Process of 3-(Pyrrolidin-1-ylcarbonyl)-1,2,3,4-tetrahydroisoquinoline

There total 3 articles about 3-(Pyrrolidin-1-ylcarbonyl)-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:

: 135710-21-3
3-(Pyrrolidine-1-carbonyl)-3,4-dihydro-1H-isoquinoline-2-carboxylic acid benzyl ester

: 135709-66-9
3-<(1-pyrrolidinyl)carbonyl>-1,2,3,4-tetrahydroisoquinoline

Guidance literature:: With hydrogen; palladium on activated charcoal; In water; acetic acid; for 4h; under 2068.6 Torr; Yield given;
DOI:10.1021/jm00112a042

Reference yield:

: 67123-97-1
(R,S)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid

: 135709-66-9
3-<(1-pyrrolidinyl)carbonyl>-1,2,3,4-tetrahydroisoquinoline

Guidance literature:: Multi-step reaction with 3 steps

1: NaOH / 0 °C

2: 1.) isobutyl chloroformate, Et₃N / 1.) CHCl₃, -5 deg C, 15 min, 2.) RT

3: H₂ / 10percent Pd/C / acetic acid; H₂O / 4 h / 2068.6 Torr

With sodium hydroxide; hydrogen; triethylamine; isobutyl chloroformate; palladium on activated charcoal; In water; acetic acid;
DOI:10.1021/jm00112a042

Reference yield:

: 82716-88-9
N-benzyloxycarbonyl-1,2,3,4-tetrahydro-3(S)-isoquinolinecarboxylic acid

: 135709-66-9
3-<(1-pyrrolidinyl)carbonyl>-1,2,3,4-tetrahydroisoquinoline

Guidance literature:: Multi-step reaction with 2 steps

1: 1.) isobutyl chloroformate, Et₃N / 1.) CHCl₃, -5 deg C, 15 min, 2.) RT

2: H₂ / 10percent Pd/C / acetic acid; H₂O / 4 h / 2068.6 Torr

With hydrogen; triethylamine; isobutyl chloroformate; palladium on activated charcoal; In water; acetic acid;
DOI:10.1021/jm00112a042