Acetoacetamide, N,N-diethyl-

HCID 16699CAS 2235-46-3
Substructure searchFind similar structures

Basic information

Standard SMILES
CCN(CC)C(=O)CC(C)=O
InChIKey
NTMXFHGYWJIAAE-UHFFFAOYSA-N
Molecular formula
C8H15NO2
Average molar mass
157.21 g/mol
Monoisotopic mass
157.11027872

Names & identifiers

Preferred name
Acetoacetamide, N,N-diethyl-
IUPAC
N,N-diethyl-3-oxobutanamide
English name
N,N-Diethylacetoacetamide
Molecular formula
C8H15NO2
Molecular weight
157.21

Names & synonyms

N,N-DiethylacetoacetamideN,N-Diethyl-3-oxobutanamideDiethylacetoacetamideN,N-Diethyl-3-oxobutyramideButanamide, N,N-diethyl-3-oxo-ACETOACETAMIDE, N,N-DIETHYL-HSDB 2708N-diethylacetoacetamideAcetoacetdiethylamideEINECS 218-792-3AI3-06569PROMOTOR C
Show more names
DEAATetramidAKOS BBS-00006457Resveratrol Impurity 32N-ACETOACETYLDIETHYLAMINEn,n-diethyl-acetoacetamid
UNII-LG9561531VBRN 0636486EC 218-792-34-04-00-00409 (Beilstein Handbook Reference)DTXSID8052695N,NDiethylacetoacetamideN,NDiethyl3oxobutanamideN,NDiethylacetylacetamide

Database identifiers

CAS
2235-46-3
PubChem CID
16699
DTXSID
DTXSID8052695
UNII
LG9561531V
EC Number
218-792-3
Nikkaji
J26.748A

Properties

Computed structural properties

XLogP
0.3
Topological polar surface area
37.4 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
2
Rotatable bonds
4
Heavy atoms
11

Experimental & physicochemical properties

Chemical ClassesNitrogen Compounds -> Other Nitrogen Compounds
SpringerMaterials PropertiesDielectric constant
Density0.995 @ 20 °C/20 °C
Color/FormLIQUID
SolubilitySOLUBLE IN WATER
Flash Point · 2 items

121 °C

250 °F.

Physicochemical properties

Melting point
-73 °C · -73 °C
Boiling point
76 °C · 76 °C(lit.)
Density
0.994 g/mL · 0.994 g/mL at 20 °C (lit.)
vapor pressure
1.387 Pa · 1.387Pa at 25℃
refractive index
20 · n20/D 1.471
Flash point
94 °C · 94 °C

Safety & regulation

GHS classification

GHS Classification · 3 items

This chemical does not meet GHS hazard criteria for 99.6% (266 of 267) of all reports.

Not Classified

Aggregated GHS information provided per 267 reports by companies from 3 notifications to the ECHA C&L Inventory.

Hazard information

Regulatory Information · 3 items

Chemical: Butanamide, N,N-diethyl-3-oxo-

Status: Active Update: 27-07-2021 https://echa.europa.eu/registration-dossier/-/registered-dossier/5909

Butanamide, N,N-diethyl-3-oxo-: Does not have an individual approval but may be used under an appropriate group standard

Fire PotentialSLIGHT, WHEN EXPOSED TO HEAT OR FLAME.
Hazards SummaryEmergency treatment: Irritants; [HSDB] A mild eye irritant; [RTECS] May cause irritation; [Alfa Aesar MSDS]
Hazard Classes and CategoriesNot Classified

Safety & protection

Fire Fighting ProceduresWATER, FOAM, ALCOHOL FOAM.

Toxicology

Non-Human Toxicity ExcerptsLIMITED ANIMAL EXPERIMENTS SUGGEST LOW TOXICITY.

Safety data

PPE
Eyeshields, Gloves
wgk
3
tsca
TSCA listed
rtecs
AK4025000
hs_code
29241990
Signal word
Warning

Chemistry & industry

Uses & manufacturing

Uses · 3 items

Used as an intermediate for insecticides and pigments; [HSDB]

PRECURSOR IN INSECTICIDE SYNTHESIS (PHOSPHAMIDON)

INTERMEDIATE FOR PIGMENTS

Methods of ManufacturingDIKETENE DIMER + DIETHYLAMINE.
General Manufacturing InformationButanamide, N,N-diethyl-3-oxo-: ACTIVE
Applications · 3 items

UsesN,N-Diethylacetoacetamide is used as intermediate for the manufacture of insecticides, e.g. phosphamidon Product Data Sheet

UsesN,N-Diethylacetoacetamide is an intermediate in the synthesis of Phosphamidon (E/Z mixture) (P353730), an organophosphate insecticide that acts as a cholinesterase inhibitor.

UsesN,N-Diethylacetoacetamide is a β-dicarbonyl compound that can be used to synthesize potent calcium channel blockers such as 2,6,6-trimethyl-3-diethylaminocarbonyl-4-aryl-5-oxo-1,4,5,6,7,8-hexahydroquinoline derivatives and N,N-diethyl-2,6,6-trimethyl-4-(3-nitrophenyl)-5-oxo-1,4,5,6,7,8-hexahydroquinoline-3-carboxamide. It can also undergo Michael addition in the presence of bis(2,4-pentanedionato)nickel(II) catalyst.

Upstream & downstream products

Suppliers50 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]
北京福源坊科技有限公司010-57903446 15869909019 · [email protected]
湖北万得化工有限公司15377098680 15377098680 · [email protected]
Hebei Chuanghai Biotechnology Co., Ltd+86-17732866630 · [email protected]

Related reactions

9 records
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Linked notes

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