2-Aminochromone-3-carboxaldehyde

HCID 735928

Basic information

CAS
61424-76-8
Standard SMILES
Nc1oc2ccccc2c(=O)c1C=O
InChIKey
TVGIYZVZBKAJRR-UHFFFAOYSA-N
Molecular formula
C10H7NO3
Average molar mass
189.17 g/mol
Monoisotopic mass
189.04259308

Overview

structure in first source

Names & identifiers

Preferred name
2-Aminochromone-3-carboxaldehyde
IUPAC
2-amino-4-oxochromene-3-carbaldehyde
English name
2-Amino-3-formylchromone
Molecular formula
C10H7NO3
Molecular weight
189.17

Names & synonyms

2-Aminochromone-3-carboxaldehydeRefChem:4638942-Amino-3-formylchromone61424-76-82-amino-4-oxo-4H-chromene-3-carbaldehyde2-amino-4-oxochromene-3-carbaldehydeMFCD00191735CHEMBL87426MLS0003356142-Amino-3-formylchromone, 97%DTXSID503528842-Amino-4-oxo-4H-1-benzopyran-3-carboxaldehyde
Show more names
2-Amino-3-formylchromone >2-Aminochromone-3-carboxaldehyde2-amino-4-oxo-3-chromenecarboxaldehyde2-amino-4-keto-chromene-3-carbaldehyde2-AMINO-3-FORMYLCHROMONE ISO 9001:2015 REACH2-AMINO-4-OXO-4 H-1-BENZOPYRAN-3-CARBOXALDEHYDE
HMS2533J17BP-12686SMR000253368CS-02214432-amino-4-oxo-chromene-3-carbaldehydeBB 0260647FT-06407532-Amino-4-oxo-4H-1-benzopyran-3-carbaldehyde

Database identifiers

CAS
61424-76-8
PubChem CID
735928
DTXSID
DTXSID50352884
ChEMBL
CHEMBL87426
EC Number
624-966-3
Nikkaji
J1.869.084E

Properties

Computed structural properties

XLogP
1.3
Topological polar surface area
69.4 Ų
Hydrogen bond donors
1
Hydrogen bond acceptors
4
Rotatable bonds
1
Heavy atoms
14

Physicochemical properties

Melting point
249 °C · 249 °C (dec.) (lit.)
Boiling point
401.2 · 401.2±45.0 °C(Predicted)
Density
1.486 · 1.486±0.06 g/cm3(Predicted)
pka
1.31 · 1.31±0.20(Predicted)
form
powder to crystal
color
White to Orange to Green

Safety & regulation

GHS classification

GHS Classification · 4 items

Warning

H315 (100%): Causes skin irritation [Warning Skin corrosion/irritation]

P261, P264, P264+P265, P271, P280, P302+P352, P304+P340, P305+P351+P338, P319, P321, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 41 reports by companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Hazard Classes and CategoriesSkin Irrit. 2 (100%)

Safety data

PPE
dust mask type N95 (US), Eyeshields, Gloves
wgk
3
hs_code
2932.99.9090
risk_code
36/37/38
Signal word
Warning
Symbol(GHS)
GHS07

Chemistry & industry

Applications · 2 items

Uses2-Amino-3-formylchromone may be used in the preparation of the following:chiral Schiff base ligands (R)/(S)-2-amino-3-(((1-hydroxypropan-2-yl)imino)methyl)-4H-chromen-4-onehydrazone derivatives, required for the synthesis of heterocyclic Schiff′s bases having antimicrobial activityN-{4-[(6-chloro-4-oxo-4H-chromen-3-ylmethylene)amino]phenyl}-3,5-dimethyl-benzofuran-2-carboxamideN-{4-[(6-chloro-4-oxo-4H-chromen-3-ylmethylene)amino]phenyl}-1,4-dihydro-chromono [2,3-b]pyrrole-2-carboxamide6-chloro-3-{[4-(2-thioxo-3,6-dihydro-2H-1,3,4-thiadiazin-5-ylamino)phenylimino] methyl}- 4-oxo-4H -chromene3--(2-amino--4--oxo--4H--chromen--3--yl)methylidene)--6-- ethyl--2H--pyrano[3,2--c]quinolone--2,4,5(3H,6H)-trione

General Description2-Amino-3-formylchromone (2-Amino-4-oxo-4H-1-benzopyran-3-carboxaldehyde) is a benzopyran derivative. It is a bicyclic heterocyclic molecule made up of a benzene ring fused to a heterocyclic pyran ring. It undergoes condensation with (R)-2-amino-2-phenylethanol to afford Schiff base ligand, which forms complexes with Cu(NO3)2 and Zn(NO3)2.

Upstream & downstream products

Suppliers57 total

梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
湖北永阔科技有限公司027-59223108 15972152991 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
毕佳索(上海毕得医药科技股份有限公司)400-6005915 · [email protected]
成都彼样生物科技有限公司18108052721 · [email protected]

Related reactions

4 records

Compound notes

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