Dimethylformamide dimethyl acetal

HCID 78373CAS 4637-24-5
Substructure searchFind similar structures

Basic information

Standard SMILES
COC(OC)N(C)C
InChIKey
ZSXGLVDWWRXATF-UHFFFAOYSA-N
Molecular formula
C5H13NO2
Average molar mass
119.16 g/mol
Monoisotopic mass
119.09462866

Overview

N,N-dimethylformamide dimethyl acetal is an acetal obtained by formal condensation of N,N-dimethylformamide with methanol. N,N-dimethylformamide dimethyl acetal is a derivatisation agent used in gas-chromatography applications. It has a role as a chromatographic reagent. It is a tertiary amino compound and an acetal. It is functionally related to a N,N-dimethylformamide.

Names & identifiers

Preferred name
Dimethylformamide dimethyl acetal
IUPAC
1,1-dimethoxy-N,N-dimethylmethanamine
English name
N,N-Dimethylformamide dimethyl acetal
Molecular formula
C5H13NO2
Molecular weight
119.16

Names & synonyms

N,N-Dimethylformamide dimethyl acetal4637-24-51,1-dimethoxy-N,N-dimethylmethanamineMethanamine, 1,1-dimethoxy-N,N-dimethyl-DMF Dimethyl acetalDimethylformamide-dimethylacetalDMF-DMADMFDMADimethylformamide dimethyl acetalDimethoxy(dimethylamino)methaneDF7CTT5QPHDTXSID3063540
Show more names
Dimethoxy-N,N-dimethylmethanamine1,1-dimethoxy-n,n-dimethyl-methanamin(Dimethylamino)dimethoxymethaneDMF-DIMETHYLACETAL1,1-DIMETHOXY-N,N-DIMETHYLMETHYLAMINEN,N-Dimethylformamide dimethylDIMETHYLFORMAMIDEDIMETHYLACETAL
CHEBI:85061RefChem:134349DTXCID8040488225-063-31,1-Dimethoxytrimethylamine(dimethoxymethyl)dimethylaminedimethylformamide dimethylacetalTrimethylamine, 1,1-dimethoxy-

Database identifiers

CAS
4637-24-5
PubChem CID
78373
DTXSID
DTXSID3063540
ChEBI
CHEBI:85061
UNII
DF7CTT5QPH
EC Number
225-063-3
Nikkaji
J24.180F

Properties

Computed structural properties

XLogP
0.2
Topological polar surface area
21.7 Ų
Hydrogen bond donors
0
Hydrogen bond acceptors
3
Rotatable bonds
3
Heavy atoms
8

Experimental & physicochemical properties

Chemical ClassesNitrogen Compounds -> Other Nitrogen Compounds
Vapor Pressure30.0 [mmHg]
Physical DescriptionColorless liquid with a rancid odor; [BASF MSDS]

Physicochemical properties

Melting point
-85 °C · -85°C
Boiling point
102 · 102-103 °C/720 mmHg (lit.)
Density
0.897 g/mL · 0.897 g/mL at 25 °C (lit.)
vapor pressure
34.5 hPa · 34.5hPa at 20℃
refractive index
20 · n20/D 1.396(lit.)
Flash point
45 °F · 45 °F

Safety & regulation

GHS classification

GHS Classification · 4 items

Danger

H225 (100%): Highly Flammable liquid and vapor [Danger Flammable liquids]

P210, P233, P240, P241, P242, P243, P261, P264, P264+P265, P270, P271, P272, P280, P301+P317, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P305+P354+P338, P317, P319, P321, P330, P332+P317, P333+P317, P337+P317, P362+P364, P370+P378, P403+P233, P403+P235, P405, and P501 (click each P-code to see the statement)

Aggregated GHS information provided per 230 reports by companies from 18 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

Hazard information

Regulatory Information · 3 items

Chemical: Methanamine, 1,1-dimethoxy-N,N-dimethyl-

Status: Active Update: 13-01-2017 https://echa.europa.eu/registration-dossier/-/registered-dossier/11035

Dimethylformamide-dimethylacetal: Does not have an individual approval but may be used under an appropriate group standard

Hazards SummaryAn irritant; May cause skin sensitization; Harmful by inhalation; [BASF MSDS] See Dimethylformamide. See 1,1-Dimethoxyethane.
Hazard Classes and CategoriesFlam. Liq. 2 (100%)

Toxicology

Adverse EffectsSkin Sensitizer - An agent that can induce an allergic reaction in the skin.
Toxicity DataLC50 (rat) = 12,160 mg/m3/4hr

Safety data

F
21
PPE
Eyeshields, Faceshields, Gloves, type ABEK (EN14387) respirator filter
wgk
1
tsca
TSCA listed
ridadr
UN 3271 3/PG 2
hs_code
29225000

Chemistry & industry

Uses & manufacturing

UsesUsed as an intermediate; [BASF MSDS]
General Manufacturing InformationMethanamine, 1,1-dimethoxy-N,N-dimethyl-: ACTIVE
Applications · 4 items

UsesN,N-Dimethylformamide dimethyl acetal is used as an intermediate in the formation of pyridine derivatives, which exhibits inhibition against PI3 kinase p110alfa enzymes. It is utilized for the derivatization of primary sulfonamides and trifluoroacetic acid. It is also used in the preparation of formamidine derivatives. It is used as a reagent for n-dimethylaminomethylene and methyl esters. Further, it is used to catalyze the coupling of epoxides with carbon dioxide to prepare cyclic carbonates.

UsesUsed to catalyze the coupling of epoxides with carbon dioxide under solvent free conditions leading to cyclic carbonates.

Uses1,1-Dimethoxy-N,N-dimethylmethanamine is used as a reagent in the formation of pyridine derivatives that exhibit inhibition against PI3 kinase p110α enzymes.

General DescriptionEsterate M (N,N-Dimethylformamide dimethyl acetal, DMFDMA) is an methylating reagent. It has been used in methyl esterification of carboxylic acid and also in one-step derivatization of amino acids into N,N-Dimethylaminomethylene methyl esters.

Upstream & downstream products

Downstream products

(5-(Trifluoromethyl)-1-methyl-1H-pyrazol-4-yl)methanamine(1-tert-Butyl-5-(trifluoromethyl)-1H-pyrazol-4-yl)methanol1-(3-Pyridyl)-3-(dimethylamino)-2-propen-1-one5-Methyl-1-phenyl-1H-pyrazole-4-carboxylic acid(5-(Trifluoromethyl)-1-phenyl-1H-pyrazol-4-yl)methanol1-Phenyl-5-(trifluoromethyl)-1H-pyrazole-4-carboxylic acid1-tert-Butyl 6-methyl 3-formyl-1H-indole-1,6-dicarboxylateEthyl 1-(4-fluorophenyl)-5-methyl-1H-pyrazole-4-carboxylate3-Bromochromone5-(Trifluoromethyl)-1-phenyl-1H-pyrazole-4-carbonitrile5-(Trifluoromethyl)-1-methyl-1H-pyrazole-4-carbonyl chlorideMethyl 4-amino-6-indolecarboxylate

Suppliers50 total

国药集团化学试剂有限公司86-21-63210123 · [email protected]
梯希爱(上海)化成工业发展有限公司021-67121386 · [email protected]
上海阿拉丁生化科技股份有限公司400-6206333 13167063860 · [email protected]
南京一化生物科技有限公司13429882898; 13429882898
上海泰矶林实业有限公司02150630626 17717886015 · [email protected]

Additional notes

DefinitionChEBI: An acetal obtained by formal condensation of N,N-dimethylformamide with methanol. N,N-dimethylformamide dimethyl acetal is a derivatisation agent used in gas-chromatography applica ions

Related reactions

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