N,N-Dimethylformamide di-tert-butyl acetal - CAS 36805-97-7

Name: N,N-Dimethylformamide di-tert-butyl acetal
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB023083
Product Name:	N,N-Dimethylformamide di-tert-butyl acetal
CAS:	36805-97-7
Synonyms:	N,N-dimethyl-1,1-bis[(2-methylpropan-2-yl)oxy]methanamine

Technical Data

IUPAC Name:	N,N-dimethyl-1,1-bis[(2-methylpropan-2-yl)oxy]methanamine
Description:	N,N-Dimethylformamide di-tert-butyl acetal (CAS# 36805-97-7) is used as a reagent in the synthesis of fused bicyclic ethers which act as herbicides on broad-leaved weeds. It is also used as a reagent in the preparation and biological evaluation of cystobactamide 507 which is bacterial topoisomerase inhibitor.
Molecular Weight:	203.32
Molecular Formula:	C11H25NO2
Canonical SMILES:	CC(C)(C)OC(N(C)C)OC(C)(C)C
InChI:	InChI=1S/C11H25NO2/c1-10(2,3)13-9(12(7)8)14-11(4,5)6/h9H,1-8H3
InChI Key:	DBNQIOANXZVWIP-UHFFFAOYSA-N
Boiling Point:	56-57 °C (8 mmHg)
Purity:	> 98.0 % (N)
Density:	0.848 g/cm³
Appearance:	Colorless to yellow liquid
MDL:	MFCD00015002
LogP:	2.46180

GHS Hazard Statement:	H226 (97.87%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P261, P264, P271, P280, P302+P352, P303+P361+P353, P304+P340, P305+P351+P338, P312, P321, P332+P313, P337+P313, P362, P370+P378, P403+P233, P403+P235, P405, and P501
Signal Word:	Warning

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PMID	Publication Date	Title	Journal
21750829	20110907	N3-alkylation during formation of quinazolin-4-ones from condensation of anthranilamides and orthoamides	Organic & biomolecular chemistry
18804212	20081031	Determination of trace food-derived hazardous compounds in Chinese cooked foods using solid-phase extraction and gas chromatography coupled to triple quadrupole mass spectrometry	Journal of chromatography. A
16204723	20051001	Synthesis and biodistribution of (11)C-GW7845, a positron-emitting agonist for peroxisome proliferator-activated receptor-{gamma}	Journal of nuclear medicine : official publication, Society of Nuclear Medicine

Complexity:	149
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	203.18852904
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	203.18852904
Rotatable Bond Count:	5
Topological Polar Surface Area:	21.7
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.2