Monobenzyl Terephthalate - CAS 18520-63-3

Catalog:	BB059046
Product Name:	Monobenzyl Terephthalate
CAS:	18520-63-3
Synonyms:	1,4-Benzenedicarboxylic Acid Mono(phenylmethyl) Ester; Terephthalic Acid Benzyl Ester; Terephthalic Acid Monobenzyl Ester; Monobenzyl 1,4-Benzenedicarboxylate; Monobenzyl Terephthalate; p-(Benzyloxycarbonyl)benzoic Acid

Technical Data

IUPAC Name:	4-phenylmethoxycarbonylbenzoic acid
Description:	Monobenzyl Terephthalate is a reactant in the preparation of benzoyl-glucopyranosyl ureas as glycogen phosphorylase inhibitors and potential antidiabetic agents M onobenzyl Terephthalate is also an intermediate formed in the synthesis of Cyclotris(1,4-butylene Terephthalate) (C988975), a cyclic trimer of poly(butylene terephthalate), a thermoplastic engineering polymer.
Molecular Weight:	256.25
Molecular Formula:	C15H12O4
Canonical SMILES:	C1=CC=C(C=C1)COC(=O)C2=CC=C(C=C2)C(=O)O
InChI:	InChI=1S/C15H12O4/c16-14(17)12-6-8-13(9-7-12)15(18)19-10-11-4-2-1-3-5-11/h1-9H,10H2,(H,16,17)
InChI Key:	RGRIMQYNCUGNDQ-UHFFFAOYSA-N
Melting Point:	177-180°C
Solubility:	DMSO (Slightly), Methanol (Slightly)
Appearance:	White to Off-White Solid
Storage:	-20°C Freezer
References:	Nagy, V., et. al. Bioorg. Med. Chem., 20, 1801 (2012); East, G.C. et al. Polymer, 23, 323 (1982).

Complexity:	312
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	256.07355886
Formal Charge:	0
Heavy Atom Count:	19
Hydrogen Bond Acceptor Count:	4
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	256.07355886
Rotatable Bond Count:	5
Topological Polar Surface Area:	63.6Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	3.5