2-Methylbutyl Chloroformate - CAS 20412-39-9

Catalog:	BB015906
Product Name:	2-Methylbutyl Chloroformate
CAS:	20412-39-9
Synonyms:	carbonochloridic acid 2-methylbutyl ester; 2-methylbutyl carbonochloridate

Technical Data

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Computed Properties

IUPAC Name:	2-methylbutyl carbonochloridate
Description:	2-Methylbutyl Chloroformate (CAS# 20412-39-9) is an ester of chloroformic acid and is used as an intermediate in the synthetic preparation of pharmaceutical goods and inhibitors.
Molecular Weight:	150.60
Molecular Formula:	C6H11ClO2
Canonical SMILES:	CCC(C)COC(=O)Cl
InChI:	InChI=1S/C6H11ClO2/c1-3-5(2)4-9-6(7)8/h5H,3-4H2,1-2H3
InChI Key:	MQNLOOJFAVAAKD-UHFFFAOYSA-N
Boiling Point:	56 °C (25 mmHg)
LogP:	2.40790

Publication Number	Title	Priority Date
CN-102741237-A	Beta-dihydrofuran deriving compound, method for producing beta-dihydrofuran deriving compound or beta-tetrahydrofuran deriving compound, beta-glycoside compound, method for producing beta-glycoside compound, and method for producing 4'-ethynyl d4t and analogue comp	20100215
CN-102741237-B	Method for producing beta-dihydrofuran deriving compound	20100215
EP-2537839-A1	B-dihydrofuran deriving compound, method for producing b-dihydrofuran deriving compound or b-tetrahydrofuran deriving compound, b -glycoside compound, method for producing b-glycoside compound, and method for producing 4'-ethynyl d4t and analogue compounds thereof	20100215
EP-2537839-B1	B-dihydrofuran deriving compound, method for producing b-dihydrofuran deriving compound or b-tetrahydrofuran deriving compound, b -glycoside compound, method for producing b-glycoside compound, and method for producing 4'-ethynyl d4t and analogue compounds thereof	20100215
JP-5924479-B2	Method for producing Î²-dihydrofuran-derived compound, Î²-dihydrofuran-derived compound or Î²-tetrahydrofuran-derived compound, and method for producing Î²-glycoside compound	20100215

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Complexity:	93.1
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	150.0447573
Formal Charge:	0
Heavy Atom Count:	9
Hydrogen Bond Acceptor Count:	2
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	150.0447573
Rotatable Bond Count:	4
Topological Polar Surface Area:	26.3
Undefined Atom Stereocenter Count:	1
Undefined Bond Stereocenter Count:	0
XLogP3:	2.9