2-(3-Methoxypropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane - CAS 667917-13-7

Name: 2-(3-Methoxypropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB060280
Product Name:	2-(3-Methoxypropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
CAS:	667917-13-7
Synonyms:	2-(3-methoxypropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane; 1,3,2-Dioxaborolane, 2-(3-methoxypropyl)-4,4,5,5-tetramethyl-

Technical Data

IUPAC Name:	2-(3-methoxypropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane
Description:	2-(3-Methoxypropyl)-4,4,5,5-tetramethyl-1,3,2-dioxaborolane can be used to prevent thrombosis during surgery.
Molecular Weight:	200.08
Molecular Formula:	C10H21BO3
Canonical SMILES:	B1(OC(C(O1)(C)C)(C)C)CCCOC
InChI:	InChI=1S/C10H21BO3/c1-9(2)10(3,4)14-11(13-9)7-6-8-12-5/h6-8H2,1-5H3
InChI Key:	PKCAZCNJOALZSI-UHFFFAOYSA-N
References:	Combe-Marzelle, S.M., et.al. U.S. Pat. Appl. Publ. US 20120040904 A1, (2012).

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P264, P270, P301+P317, P330, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
US-2007185060-A1	Boronic acid thrombin inhibitors	20040309
US-2008166396-A1	Boronate Medicaments Suitable for Short Duration Anticoagulation	20040309
US-2012040904-A1	Boronate Medicaments for Preventing Thrombosis During Surgery	20040309
US-2005119226-A1	Methods for synthesizing organoboronic compounds and products thereof	20030909
US-2004138175-A1	Boronic acid salts useful in parenteral formulations	20020909
US-2004147453-A1	Multivalent metal salts of boronic acids	20020909
US-2005176651-A1	Peptide boronic acids useful in making salts thereof	20020909
US-2005282757-A1	Peptide boronic acid compounds useful in anticoagulation	20020909
US-2005288253-A1	Boronic acid salts	20020909
US-2006084592-A1	Peptide boronic acid inhibitors	20020909

Complexity:	176
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	200.1583747
Formal Charge:	0
Heavy Atom Count:	14
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	0
Isotope Atom Count:	0
Monoisotopic Mass:	200.1583747
Rotatable Bond Count:	4
Topological Polar Surface Area:	27.7Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0