3-((8-Chloro-4-oxo-3,4-dihydrophthalazin-1-YL)methyl)benzoic acid

Base Information

Chemical Name:3-((8-Chloro-4-oxo-3,4-dihydrophthalazin-1-YL)methyl)benzoic acid
CAS No.:1174044-69-9
Molecular Formula:C₁₆H₁₁ClN₂O₃
Molecular Weight:314.728
Hs Code.:
DSSTox Substance ID:DTXSID30697109
Wikidata:Q82626931

Synonyms:1174044-69-9;3-((8-CHLORO-4-OXO-3,4-DIHYDROPHTHALAZIN-1-YL)METHYL)BENZOIC ACID;3-[(8-Chloro-4-oxo-3,4-dihydrophthalazin-1-yl)methyl]benzoic acid;starbld0029949;SCHEMBL86935;DTXSID30697109;QJIVPMJBJJBNPS-UHFFFAOYSA-N;3-[(8-chloro-3,4-dihydro-4-oxo-1-phthalazinyl)methyl]-benzoic acid;SB13423

Suppliers and Price of 3-((8-Chloro-4-oxo-3,4-dihydrophthalazin-1-YL)methyl)benzoic acid

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
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price

Total 1 raw suppliers

Chemical Property of 3-((8-Chloro-4-oxo-3,4-dihydrophthalazin-1-YL)methyl)benzoic acid

Chemical Property:

XLogP3:2.8
Hydrogen Bond Donor Count:2
Hydrogen Bond Acceptor Count:4
Rotatable Bond Count:3
Exact Mass:314.0458199
Heavy Atom Count:22
Complexity:494

Purity/Quality:: ≥98% ^*data from raw suppliers

Safty Information:

Pictogram(s):
Hazard Codes:

MSDS Files:: SDS file from LookChem

Useful:

Canonical SMILES:C1=CC(=CC(=C1)C(=O)O)CC2=NNC(=O)C3=C2C(=CC=C3)Cl

Technology Process of 3-((8-Chloro-4-oxo-3,4-dihydrophthalazin-1-YL)methyl)benzoic acid

There total 1 articles about 3-((8-Chloro-4-oxo-3,4-dihydrophthalazin-1-YL)methyl)benzoic acid 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: 95.0%

: 1174044-68-8
3-((8-chloro-4-oxo-3,4-dihydrophthalazin-1-yl)methyl)benzonitrile

: 1174044-69-9
3-((8-chloro-4-oxo-3,4-dihydrophthalazin-1-yl)methyl)benzoic acid

Guidance literature:: 3-((8-chloro-4-oxo-3,4-dihydrophthalazin-1-yl)methyl)benzonitrile; With water; potassium hydroxide; In ethanol; at 100 ℃; for 5h;

With hydrogenchloride; water; pH=1;

Reference yield: 41.0%

: 1122-86-7
4-ethoxypiperidine

: 1174044-69-9
3-((8-chloro-4-oxo-3,4-dihydrophthalazin-1-yl)methyl)benzoic acid

: 1174044-09-7
5-chloro-4-(3-(4-ethoxypiperidine-1-carbonyl)benzyl)phthalazin-1(2H)-one

Guidance literature:: With O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide;

Reference yield: 23.76%

: 4045-24-3
4-methoxypiperidine

: 1174044-69-9
3-((8-chloro-4-oxo-3,4-dihydrophthalazin-1-yl)methyl)benzoic acid

: 1174044-08-6
5-chloro-4-(3-(4-methoxypiperidine-1-carbonyl)benzyl)phthalazin-1(2H)-one

Guidance literature:: With O-(1H-benzotriazol-1-yl)-N,N,N',N'-tetramethyluronium hexafluorophosphate; N-ethyl-N,N-diisopropylamine; In N,N-dimethyl-formamide; at 0 ℃; for 4h;