3-ethyl 2-methyl 6-hydroxy-3,4-dihydro-2,3(1H)-isoquinolinedicarboxylate

Base Information

Chemical Name:3-ethyl 2-methyl 6-hydroxy-3,4-dihydro-2,3(1H)-isoquinolinedicarboxylate
CAS No.:134388-88-8
Molecular Formula:C₁₄H₁₇NO₅
Molecular Weight:279.293
Hs Code.:
European Community (EC) Number:603-254-6
DSSTox Substance ID:DTXSID80474189
Mol file:134388-88-8.mol

Synonyms:134388-88-8;3-ethyl 2-methyl 6-hydroxy-3,4-dihydro-2,3(1H)-isoquinolinedicarboxylate;3-Ethyl 2-Methyl 6-hydroxy-3,4-dihydroisoquinoline-2,3(1H)-dicarboxylate;128073-40-5;3-Ethyl 2-Methyl 6-hydroxy-3,4-dihydroisoquinoline-2,3(1H)-dicarboxylate;3-O-ethyl 2-O-methyl 6-hydroxy-3,4-dihydro-1H-isoquinoline-2,3-dicarboxylate;SCHEMBL8300889;DTXSID80474189;MFCD11505031;AKOS005072963;CS-0337722;A922293;H-20039;J-512419;3-Ethyl 2-methyl 6-hydroxy-3,4-dihydro-2,3(1H)-isoquinoline dicarboxylate;3-Ethyl2-Methyl6-hydroxy-3,4-dihydroisoquinoline-2,3(1H)-dicarboxylate;3-ethyl 2-methyl 6-hydroxy-1,2,3,4-tetrahydroisoquinoline-2,3-dicarboxylate

Suppliers and Price of 3-ethyl 2-methyl 6-hydroxy-3,4-dihydro-2,3(1H)-isoquinolinedicarboxylate

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

Matrix Scientific
3-Ethyl 2-methyl 6-hydroxy-3,4-dihydro-2,3(1H)-isoquinolinedicarboxylate >95%
500mg
$ 362.00

Crysdot
3-Ethyl2-methyl6-hydroxy-3,4-dihydroisoquinoline-2,3(1H)-dicarboxylate 95+%
1g
$ 381.00

Chemenu
3-Ethyl2-methyl6-hydroxy-3,4-dihydroisoquinoline-2,3(1H)-dicarboxylate 95%
1g
$ 360.00

Total 5 raw suppliers

Chemical Property of 3-ethyl 2-methyl 6-hydroxy-3,4-dihydro-2,3(1H)-isoquinolinedicarboxylate

Chemical Property:

Melting Point:123 - 125 °C
Boiling Point:432.4±45.0 °C(Predicted)
PKA:9.66±0.40(Predicted)
PSA：76.07000
Density:1.284±0.06 g/cm3(Predicted)
LogP:1.38630
XLogP3:1.6
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:5
Rotatable Bond Count:4
Exact Mass:279.11067264
Heavy Atom Count:20
Complexity:373

Purity/Quality:

97% ^*data from raw suppliers

3-Ethyl 2-methyl 6-hydroxy-3,4-dihydro-2,3(1H)-isoquinolinedicarboxylate >95% ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:

Useful:

Canonical SMILES:CCOC(=O)C1CC2=C(CN1C(=O)OC)C=CC(=C2)O

Technology Process of 3-ethyl 2-methyl 6-hydroxy-3,4-dihydro-2,3(1H)-isoquinolinedicarboxylate

There total 6 articles about 3-ethyl 2-methyl 6-hydroxy-3,4-dihydro-2,3(1H)-isoquinolinedicarboxylate 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:

aqueous sodium hydrogen sulfate: aqueous sodium hydrogen sulfate

: 128073-39-2
ethyl 6-hydroxy-1,2,3,4-tetrahydro-3-isoquinolinecarboxylate hydrochloride

: 79-22-1
methyl chloroformate

: 134388-88-8
ethyl 6-hydroxy-2-(methoxycarbonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate

Guidance literature:: With N-ethyl-N,N-diisopropylamine; In dichloromethane;

Reference yield:

: 134388-85-5
6-Hydroxy-1,2,3,4-tetrahydro-isoquinoline-3-carboxylic acid ethyl ester

: 79-22-1
methyl chloroformate

: 134388-88-8
ethyl 6-hydroxy-2-(methoxycarbonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate

Guidance literature:: With N-ethyl-N,N-diisopropylamine; In dichloromethane; at 0 ℃; for 0.333333h; Yield given;
DOI:10.1021/jo00014a012

Reference yield:

: 775-06-4,29562-33-2
D/L-3-hydroxy-phenylalanine

: 134388-88-8
ethyl 6-hydroxy-2-(methoxycarbonyl)-1,2,3,4-tetrahydroisoquinoline-3-carboxylate

Guidance literature:: Multi-step reaction with 3 steps

1: 70 percent / 0.05 N HCl / 0.75 h / Heating

2: 237.3 g / HCl / Heating

3: i-Pr₂NEt / CH₂Cl₂ / 0.33 h / 0 °C

With hydrogenchloride; N-ethyl-N,N-diisopropylamine; In dichloromethane;
DOI:10.1021/jo00014a012