3-Hydroxy-5-methoxybenzaldehyde - CAS 57179-35-8

Name: 3-Hydroxy-5-methoxybenzaldehyde
Brand: BOC Sciences
Rating: 5 (1 reviews)

Catalog:	BB061175
Product Name:	3-Hydroxy-5-methoxybenzaldehyde
CAS:	57179-35-8
Synonyms:	3-hydroxy-5-methoxybenzaldehyde; Benzaldehyde, 3-hydroxy-5-methoxy-; ghl.PD_Mitscher_leg0.685; 3-Methoxy-5-hydroxybenzaldehyde; 3-hydroxy-5-methoxy-benzaldehyde

Technical Data

IUPAC Name:	3-hydroxy-5-methoxybenzaldehyde
Description:	3-Hydroxy-5-methoxybenzaldehyde, can be used as an intermediate for the synthesis of various pharmaceutical compounds. It is used for the synthesis of Phenathrenes from cyclophanes.
Molecular Weight:	152.15
Molecular Formula:	C8H8O3
Canonical SMILES:	COC1=CC(=CC(=C1)O)C=O
InChI:	InChI=1S/C8H8O3/c1-11-8-3-6(5-9)2-7(10)4-8/h2-5,10H,1H3
InChI Key:	FGQOOHJZONJGDT-UHFFFAOYSA-N
Melting Point:	127-129°C (dec.)
Solubility:	Chloroform (Slightly, Heated), Methanol (Slightly)
Appearance:	Pale Yellow to Light Yellow Solid
Storage:	Refrigerator
References:	Ben, I., et al. J. Org. Chem., 50, 2236 (1985).

GHS Hazard Statement:	H302 (100%): Harmful if swallowed [Warning Acute toxicity, oral]
Precautionary Statement:	P261, P264, P264+P265, P270, P271, P280, P301+P317, P302+P352, P304+P340, P305+P351+P338, P319, P321, P330, P332+P317, P337+P317, P362+P364, P403+P233, P405, and P501
Signal Word:	Warning

Publication Number	Title	Priority Date
US-2022033417-A1	Therapeutic agents and uses thereof	20200721
WO-2022019892-A1	Therapeutic agents and uses thereof	20200721
WO-2021198199-A1	Flavor composition	20200331
WO-2020160711-A1	Imidazo [2, 1-f] [1, 2, 4] triazin-4-amine derivatives as tlr7 agonist	20190207
TW-202045508-A	Imidazo[2,1-f][1,2,4]triazin-4-amine derivatives as tlr7 agonist	20190207
AU-2020218872-A1	Imidazo (2, 1-f) (1, 2, 4) triazin-4-amine derivatives as TLR7 agonist	20190207
CA-3129234-A1	Imidazo[2,1-f][1,2,4]triazin-4-amine derivatives as tlr7 agonist	20190207
CN-113454086-A	Imidazo [2,1-F ] [1,2,4] triazin-4-amine derivatives as TLR7 agonists	20190207
IL-285311-D0	Derivatives of imidazo [1,2-f] [4,2,1] triazin-4-amine as agonist for tlr7	20190207
EP-3921320-A1	Imidazo [2, 1-f] [1, 2, 4] triazin-4-amine derivatives as tlr7 agonist	20190207

Complexity:	135
Compound Is Canonicalized:	Yes
Covalently-Bonded Unit Count:	1
Defined Atom Stereocenter Count:	0
Defined Bond Stereocenter Count:	0
Exact Mass:	152.047344113
Formal Charge:	0
Heavy Atom Count:	11
Hydrogen Bond Acceptor Count:	3
Hydrogen Bond Donor Count:	1
Isotope Atom Count:	0
Monoisotopic Mass:	152.047344113
Rotatable Bond Count:	2
Topological Polar Surface Area:	46.5Å²
Undefined Atom Stereocenter Count:	0
Undefined Bond Stereocenter Count:	0
XLogP3:	1.1