Trimethylacetic anhydride - CAS 1538-75-6

Catalog:	BB010946
Product Name:	Trimethylacetic anhydride
CAS:	1538-75-6
Synonyms:	2,2-dimethylpropanoyl 2,2-dimethylpropanoate

Technical Data

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Computed Properties

IUPAC Name:	2,2-dimethylpropanoyl 2,2-dimethylpropanoate
Description:	A metabolite of a double prodrug (6-dGCV-DPiv) of Ganciclovir.
Molecular Weight:	186.25
Molecular Formula:	C10H18O3
Canonical SMILES:	CC(C)(C)C(=O)OC(=O)C(C)(C)C
InChI:	InChI=1S/C10H18O3/c1-9(2,3)7(11)13-8(12)10(4,5)6/h1-6H3
InChI Key:	PGZVFRAEAAXREB-UHFFFAOYSA-N
Boiling Point:	193 ℃
Purity:	95 %
Density:	0.918 g/cm³
Solubility:	Decomposes in contact with water
Appearance:	Clear colourless liquid
Storage:	Store at RT.
MDL:	MFCD00008842
LogP:	2.14840

Publication Number	Title	Priority Date
CN-113480480-A	Synthesis method of (R) -5' -methoxylapatin	20210804
CN-113214587-A	Transparent, antibacterial organic glass and its manufacturing method	20210601
CN-113429338-A	Method for synthesizing fluopyram	20210520
CN-112851703-A	Preparation method of clitorium	20210126
CN-112574487-A	Preparation method of plastic rubber powder	20201223

PMID	Publication Date	Title	Journal
22699569	20120614	A new method for production of chiral 2-aryl-2-fluoropropanoic acids using an effective kinetic resolution of racemic 2-aryl-2-fluoropropanoic acids	Molecules (Basel, Switzerland)
23023415	20120101	[Development of novel methods for preparing chiral non-steroidal anti-inflammatory drugs (NSAIDs) by asymmetric esterification]	Yakugaku zasshi : Journal of the Pharmaceutical Society of Japan
21887445	20111021	(R)-(+)-N-methylbenzoguanidine ((R)-NMBG) catalyzed kinetic resolution of racemic secondary benzylic alcohols with free carboxylic acids by asymmetric esterification	Organic & biomolecular chemistry
20681552	20100825	Kinetic resolution of racemic alpha-arylalkanoic acids with achiral alcohols via the asymmetric esterification using carboxylic anhydrides and acyl-transfer catalysts	Journal of the American Chemical Society
19904780	20100104	Kinetic resolution of the racemic 2-hydroxyalkanoates using the enantioselective mixed-anhydride method with pivalic anhydride and a chiral acyl-transfer catalyst	Chemistry (Weinheim an der Bergstrasse, Germany)

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Carbonyl Compounds

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GHS Hazard Statement:	H226 (87.23%): Flammable liquid and vapor [Warning Flammable liquids]
Precautionary Statement:	P210, P233, P240, P241, P242, P243, P260, P264, P280, P301+P330+P331, P303+P361+P353, P304+P340, P305+P351+P338, P310, P321, P363, P370+P378, P403+P235, P405, and P501
Signal Word:	Danger

Complexity:	191
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	186.125594432
Formal Charge:	0
Heavy Atom Count:	13
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	186.125594432
Rotatable Bond Count:	4
Topological Polar Surface Area:	43.4 Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	2.7