Methyl 4-oxo-3,4-dihydrophthalazine-1-carboxylate

Base Information

Chemical Name:Methyl 4-oxo-3,4-dihydrophthalazine-1-carboxylate
CAS No.:53960-10-4
Molecular Formula:C10H8 N2 O3
Molecular Weight:204.185
Hs Code.:2933990090
European Community (EC) Number:844-162-8
DSSTox Substance ID:DTXSID20353883
Wikidata:Q82131716
Mol file:53960-10-4.mol

Synonyms:53960-10-4;methyl 4-oxo-3,4-dihydrophthalazine-1-carboxylate;4-oxo-3,4-dihydro-phthalazine-1-carboxylic acid methyl ester;methyl 4-hydroxyphthalazine-1-carboxylate;methyl 4-oxo-3H-phthalazine-1-carboxylate;CBMicro_018720;Oprea1_341384;SCHEMBL638166;4-Oxo-3,4-dihydro-phthalazin-1-carbonsaeure-methylester;DTXSID20353883;MKUYKCWVZJBMOA-UHFFFAOYSA-N;HMS1763H18;1-Phthalazinecarboxylic acid, 3,4-dihydro-4-oxo-, methyl ester;4-OXO-3,4-DIHYDRO-PHTHALAZINE-1-CARBOXYLICACIDMETHYLESTER;CCG-7241;MFCD02584721;STK735202;STL185514;AKOS000117696;AKOS004910971;LS-06328;BIM-0018875.P001;CS-0090899;FT-0692568;EN300-05980;D74984;A914714;methyl4-oxo-3,4-dihydrophthalazine-1-carboxylate;SR-01000206838;SR-01000206838-1;Z56851232

Suppliers and Price of Methyl 4-oxo-3,4-dihydrophthalazine-1-carboxylate

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

TRC
methyl4-hydroxyphthalazine-1-carboxylate
500mg
$ 285.00

Crysdot
Methyl4-oxo-3,4-dihydrophthalazine-1-carboxylate 97%
5g
$ 752.00

American Custom Chemicals Corporation
4-OXO-3,4-DIHYDRO-PHTHALAZINE-1-CARBOXYLIC ACID METHYL ESTER 95.00%
5G
$ 1421.65

American Custom Chemicals Corporation
4-OXO-3,4-DIHYDRO-PHTHALAZINE-1-CARBOXYLIC ACID METHYL ESTER 95.00%
2.5G
$ 1147.43

American Custom Chemicals Corporation
4-OXO-3,4-DIHYDRO-PHTHALAZINE-1-CARBOXYLIC ACID METHYL ESTER 95.00%
1G
$ 808.89

AK Scientific
Methyl4-hydroxyphthalazine-1-carboxylate
1g
$ 504.00

Total 6 raw suppliers

Chemical Property of Methyl 4-oxo-3,4-dihydrophthalazine-1-carboxylate

Chemical Property:

Melting Point:208-209 °C
Boiling Point:°Cat760mmHg
PKA:11.13±0.40(Predicted)
Flash Point:°C
PSA：72.31000
Density:1.39g/cm³
LogP:1.12200
XLogP3:1
Hydrogen Bond Donor Count:1
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:2
Exact Mass:204.05349212
Heavy Atom Count:15
Complexity:325

Purity/Quality:

97% ^*data from raw suppliers

methyl4-hydroxyphthalazine-1-carboxylate ^*data from reagent suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:COC(=O)C1=NNC(=O)C2=CC=CC=C21

Technology Process of Methyl 4-oxo-3,4-dihydrophthalazine-1-carboxylate

There total 6 articles about Methyl 4-oxo-3,4-dihydrophthalazine-1-carboxylate 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: 64.0%

: 3260-44-4
4-oxo-3,4-dihydrophthalazine-1-carboxylic acid

: 74-88-4
methyl iodide

: 53960-10-4
methyl 4-oxo-3,4-dihydrophthalazine-1-carboxylate

Guidance literature:: With sodium hydrogencarbonate; In N,N-dimethyl-formamide; at 23 ℃; for 16h; Inert atmosphere;
DOI:10.1021/acsmedchemlett.6b00355

Reference yield:

: 528-46-1
phthalonic acid

: 53960-10-4
methyl 4-oxo-3,4-dihydrophthalazine-1-carboxylate

Guidance literature:: Multi-step reaction with 2 steps

1: hydrazine hydrate / ethanol / 4 h / 78 °C / Inert atmosphere

2: sodium hydrogencarbonate / N,N-dimethyl-formamide / 16 h / 23 °C / Inert atmosphere

With sodium hydrogencarbonate; hydrazine hydrate; In ethanol; N,N-dimethyl-formamide;
DOI:10.1021/acsmedchemlett.6b00355