4-Phenyl-1(2H)-phthalazinone

CAS

5004-45-5

Catalog Number

ACM5004455

Category

Other Products

Molecular Weight

222.24

Molecular Formula

C₁₄H₁₀N₂O

MSDS COA Spec Sheet

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Specification

Synonyms

4-Phenylbenzo(d, 4-Phenylphthalazin-1-one, Maybridge1_003200, TimTec1_001305, NSC59, Oprea1_049626, Oprea1_771715, CBDivE_006021, MLS000777177, 1(2H)-Phthalazinone, 4-phenyl-, 525553_ALDRICH, 4-Phenyl-2H-phthalazin-1-one, 4-Phenylphthalazin-1(2H)-one, 4-Phenyl-1-(2H)-phthalazinone, AIDS009161, AIDS-009161, ZINC00104686, DP 00601, SMR000413573, ST015285

IUPAC Name

4-phenyl-2H-phthalazin-1-one

Canonical SMILES

C1=CC=C(C=C1)C2=NNC(=O)C3=CC=CC=C32

InChI Key

XCJLBNVENUPHEA-UHFFFAOYSA-N

Boiling Point

406.4ºC at 760 mmHg

Melting Point

240-244ºC(lit.)

Flash Point

156.8ºC

Density

1.193g/cm³

Exact Mass

222.07900

Hazard Statements

H-Bond Acceptor

H-Bond Donor

Safety Description

26-36

WGK Germany

Upstream Synthesis Route 1

85-52-9

5004-45-5

Reference: [1]Journal of Medicinal Chemistry,1982,vol. 25,p. 975 - 982

Upstream Synthesis Route 2

85-52-9
1937-19-5

5004-45-5
146470-07-7

Reference: [1]Richter; Kasbohm; Besch; Hagen
[Pharmazie, 1992, vol. 47, # 10, p. 758 - 764]

Downstream Synthesis Route 1

5004-45-5

35392-60-0

Reference: [1]Location in patent: experimental part
Hemdan, Magdy M.; Taha, Sherif M.; Gabr, Adel M.; Elkady, Mohamed Y.
[Journal of Chemical Research, 2010, # 2, p. 102 - 105]
[2]Fathalla, Walid; Ali, Ibrahim A. I.; Pazdera, Pavel
[Beilstein Journal of Organic Chemistry, 2017, vol. 13, p. 174 - 181]
[3]Current Patent Assignee: COMPAGNIE GENERALE DES ETABLISSEMENTS MICHELIN (MICHELIN) - US2382769, 1942, A

* For details of the synthesis route, please refer to the original source to ensure accuracy.

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