1-(3,4-Dihydroxyphenyl)-2-((1-methylethyl)amino)ethanone

HCID 8465CAS 121-28-8
Substructure searchFind similar structures

Basic information

Standard SMILES
CC(C)NCC(=O)c1ccc(O)c(O)c1
InChIKey
BIQMIYWSZZTXEX-UHFFFAOYSA-N
Molecular formula
C11H15NO3
Average molar mass
209.24 g/mol
Monoisotopic mass
209.10519334

Names & identifiers

Preferred name
1-(3,4-Dihydroxyphenyl)-2-((1-methylethyl)amino)ethanone
IUPAC
1-(3,4-dihydroxyphenyl)-2-(propan-2-ylamino)ethanone
English name
1-(3,4-dihydroxyphenyl)-2-[(1-methylethyl)amino]ethan-1-one
Molecular formula
C11H15NO3
Molecular weight
209.2417

Names & synonyms

121-28-8IsoproterenoneAludroneN-Isopropylnoradrenalone299T6A9WRP3,4-Dihydroxy-alpha-isopropylaminoacetophenoneEthanone, 1-(3,4-dihydroxyphenyl)-2-((1-methylethyl)amino)-NSC-1633531-(3,4-dihydroxyphenyl)-2-[(1-methylethyl)amino]ethanone1-(3,4-DIHYDROXYPHENYL)-2-((1-METHYLETHYL)AMINO)ETHANONES-35179RefChem:1054090
Show more names
NSC 163353Isoproterenon34'-dihyfroxy-2- (isopropylaminojacetophenone3',4'-Dihydroxy-α-(isopropylamino)acetophenone3',4'-dihydroxy-2-(isopropylamino)acetophenone3',4'-dihydroxy-2-(isopropylamino)-acetophenon(3,4-Dihydroxyphenyl)[(isopropylamino)methyl]ketone
204-461-01-(3,4-dihydroxyphenyl)-2-(propan-2-ylamino)ethanoneS 351791-(3,4-DIHYDROXYPHENYL)-2-[(1-METHYLETHYL)AMINO]ETHAN-1-ONECHEMBL598662ACETOPHENONE, 3',4'-DIHYDROXY-2-(ISOPROPYLAMINO)-1-(3,4-dihydroxyphenyl)-2-[(propan-2-yl)amino]ethan-1-one1-(3,4-dihydroxyphenyl)-2-(isopropylamino)ethanone

Database identifiers

CAS
121-28-8
PubChem CID
8465
DTXSID
DTXSID90153099
ChEMBL
CHEMBL598662
UNII
299T6A9WRP
EC Number
204-461-0
Nikkaji
J30.894C

Properties

Computed structural properties

XLogP
1.3
Topological polar surface area
69.6 Ų
Hydrogen bond donors
3
Hydrogen bond acceptors
4
Rotatable bonds
4
Heavy atoms
15

Experimental & physicochemical properties

Endocrine DisruptorsPotential endocrine disrupting compound

Physicochemical properties

Melting point
96 ℃ · 96℃
Density
1.185 · 1.185±0.06 g/cm3 (20 ºC 760 Torr)
InChI
InChI=1S/C11H15NO3/c1-7(2)12-6-11(15)8-3-4-9(13)10(14)5-8/h3-5,7,12-14H,6H2,1-2H3
InChIKey
BIQMIYWSZZTXEX-UHFFFAOYSA-N
SMILES
C1(=CC=C(O)C(O)=C1)C(=O)CNC(C)C
FDA UNII
299 T6A9WRP · 299T6A9WRP

Chemistry & industry

Applications

Uses1-(3,4-Dihydroxyphenyl)-2-[(1-methylethyl)amino]ethan-1-one is an intermediate of isoproterenol (Betastatin).

Preparation methods

PreparationObtained by reductive condensation of 3,4-dihydroxy-phenylglyoxal with isopropylamine in ethanol under hydrogen atmosphere in the presence of 14% Pd/C.

Upstream & downstream products

Upstream raw materials

Suppliers26 total

广州纳珑化工有限公司13192879270; 13192879270 · [email protected]
广州佳途科技股份有限公司81960175 18933936954 · [email protected]
杭州摩库生物医药科技有限公司+86-057181025280; +8617767106207 · [email protected]
仙桃市丽昭医药科技有限公司18571672902 · [email protected]
Dayang Chem (Hangzhou) Co.,Ltd.+86-0571-88938639 17705817739 · [email protected]

Related reactions

12 records
New reaction record

Linked notes

Loading…