1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid hydrochloride

Base Information

• Chemical Name: 1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid hydrochloride
• CAS No.: 41994-51-8
• Molecular Formula: C10H11 N O2 . Cl H
• Molecular Weight: 213.664
• Hs Code.: 2933499090
• European Community (EC) Number: 255-610-1,695-325-3
• DSSTox Substance ID: DTXSID50962144
• ChEMBL ID: CHEMBL3730905
• Mol file: 41994-51-8.mol

Synonyms:41994-51-8;1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid hydrochloride;1,2,3,4-Tetrahydro-3-isoquinolinecarboxylic acid hydrochloride;H-DL-TIC-OH;1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid;hydrochloride;EINECS 255-610-1;1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid HCl;D-1,2,3,4-TETRAHYDROISOQUINOLINE-3-CARBOXYLIC ACID HYDROCHLORIDE;D-Tic;L-Tic;DL-Tic-OH;SCHEMBL1202518;CHEMBL3730905;DTXSID50962144;FXHCFPUEIDRTMR-UHFFFAOYSA-N;HMS1429D05;5-methoxy-5-methyl-2-nitroaniline;1,2,3,4-tetrahydro-3-isoquinoline carboxylic acid hydrochloride;MFCD00012743;AKOS000493525;AKOS016843590;AS-30098;AM20060625;CS-0132186;FT-0601851;FT-0772158;EN300-00698;A825708;4-tetrahydroisoquinoline-3-carboxylic acid hydrochloride;F1549-0001;1,2,3,4-Tetrahydroisoquinoline-3-carboxylate hydrochloride;1,2,3,4-tetrahyro-3-isoquinolinecarboxylic acid hydrochloride;1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid hydrochloride;(+/-)-1,2,3,4-tetrahydro-3-isoquinoline carboxylic acid hydrochloride;(_)-1,2,3,4-tetrahydro-3-isoquinoline carboxylic acid hydrochloride;1,2,3,4-Tetrahydro-3-isoquinolinecarboxylic acid hydrochloride, 96%;1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid HCl (H-DL-Tic-OH.HCl);1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid--hydrogen chloride (1/1)

Chemical Property of 1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid hydrochloride

Chemical Property:

• Appearance/Colour: white to off-white crystalline powder
• Vapor Pressure: 3.41E-06mmHg at 25°C
• Melting Point: >300 °C(lit.)
• Boiling Point: 372°Cat760mmHg
• Flash Point: 178.8°C
• PSA: 49.33000
• Density: 1.225g/cm³
• LogP: 1.11430
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 1
• Exact Mass: 213.0556563
• Heavy Atom Count: 14
• Complexity: 205

Purity/Quality:

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

1,2,3,4-Tetrahydro-3-isoquinolinecarboxylic acid hydrochloride 96% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1C(NCC2=CC=CC=C21)C(=O)O.Cl
• Uses: 1,2,3,4-Tetrahydro-3-isoquinolinecarboxylic acid was used in the synthesis of 10,10a-dihydroimidazo-[1,5-b]isoquinoline-1,3(2H,5H)-diones, inhibitor of inflammation, apoprotein B-100 biosynthesis and matrix-degrading metalloprotienase.

Technology Process of 1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid hydrochloride

There total 2 articles about 1,2,3,4-Tetrahydroisoquinoline-3-carboxylic acid hydrochloride 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: 98.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + Phenylalanine (150-30-1,25191-15-5,658-69-5,67675-33-6) → 1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid ; hydrochloride (41994-51-8)

Guidance literature:

With hydrogenchloride; In water; for 4.5h; Reflux;

DOI:10.1016/j.bmc.2010.11.030

Reference yield:

L-phenylalanine (63-91-2,25191-15-5,658-69-5,67675-33-6) → 1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid ; hydrochloride (41994-51-8)

Guidance literature:

Reference yield: 98.8%

1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid ; hydrochloride (41994-51-8) + 3,4-difluorobenzoyl chloride (76903-88-3) → 2-(3,4-difluorobenzoyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid (1147550-70-6)

Guidance literature:

1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid ; hydrochloride; 3,4-difluorobenzoyl chloride; With sodium hydroxide; In water; acetone; for 1h; pH=> 10;

With hydrogenchloride; In water;

upstream raw materials:

L-phenylalanine

formaldehyd

Phenylalanine

Downstream raw materials:

1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid,methyl ester hydrochloride

dimethyl 4,9-dihydro-1-methylpyrrolo<1,2-b>isoquinoline-2,3-dicarboxylate

N-(tert-butoxycarbonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid

2-(2,4-dinitrophenyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylic acid

Refernces

• 1、 -. "Retroviral protease inhibitors". . . Retrieved 2008/06/13.