Methyl (4E)-5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-4-pentenoate - CAS 1446478-35-8

Catalog:	BB076356
Product Name:	Methyl (4E)-5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-4-pentenoate
CAS:	1446478-35-8
Synonyms:	methyl (4E)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoate; Methyl (E)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoate

Technical Data

IUPAC Name:	methyl (E)-5-(4,4,5,5-tetramethyl-1,3,2-dioxaborolan-2-yl)pent-4-enoate
Description:	Methyl (4E)-5-(4,4,5,5-Tetramethyl-1,3,2-dioxaborolan-2-yl)-4-pentenoate is an intermediate in the synthesis of 4,5-Dehydro-Capsaicin (H951345), an impurity of Capsaicin (C175680) which has been isolated from paprika and cayenne. 4,5-Dehydro-Capsaicin is used as a tool in neurobiological research, and is a prototype vanilloid receptor agonist and topical analgesic.
Molecular Weight:	240.1
Molecular Formula:	C12H21BO4
Canonical SMILES:	B1(OC(C(O1)(C)C)(C)C)C=CCCC(=O)OC
InChI:	InChI=1S/C12H21BO4/c1-11(2)12(3,4)17-13(16-11)9-7-6-8-10(14)15-5/h7,9H,6,8H2,1-5H3/b9-7+
InChI Key:	SRCMNYPFDGLNFM-VQHVLOKHSA-N
References:	Molnar, et al. Arzneim.-Forsch., 15, 718 (1965), Monsereenusorn,Y., et al. Crit. Rev. Toxicol., 10, 321 (1982),.

Complexity:	294
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	1
Exact Mass:	240.1532893
Formal Charge:	0
Heavy Atom Count:	17
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	240.1532893
Rotatable Bond Count:	5
Topological Polar Surface Area:	44.8Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0