5-Chloro-2-hydroxy-3-methoxybenzaldehyde

Base Information

• Chemical Name: 5-Chloro-2-hydroxy-3-methoxybenzaldehyde
• CAS No.: 7740-05-8
• Molecular Formula: C8H7ClO3
• Molecular Weight: 186.595
• Hs Code.: 2913000090
• European Community (EC) Number: 624-679-3
• ChEMBL ID: CHEMBL3660321
• DSSTox Substance ID: DTXSID80408848
• Wikidata: Q72451853
• Mol file: 7740-05-8.mol

Synonyms:5-Chloro-2-hydroxy-3-methoxybenzaldehyde;7740-05-8;5-Chloro-3-methoxysalicylaldehyde;MFCD01103568;Benzaldehyde, 5-chloro-2-hydroxy-3-methoxy-;SCHEMBL455724;CHEMBL3660321;DTXSID80408848;PQKYPMGTDHNSRL-UHFFFAOYSA-N;BDBM110984;AKOS000112606;5-Chloro-2-hydroxy-3-methoxy-benzaldehyde;CS-0187130;FT-0696661;EN300-135785;5-Chloro-2-hydroxy-3-methoxybenzaldehyde, 97%;A914456;US8614253, .3-15;Z1255360936

Chemical Property of 5-Chloro-2-hydroxy-3-methoxybenzaldehyde

Chemical Property:

• Vapor Pressure: 0.00477mmHg at 25°C
• Melting Point: 79-80 °C
• Refractive Index: 1.601
• Boiling Point: 268 °C at 760 mmHg
• PKA: 7.74±0.23(Predicted)
• Flash Point: 115.9 °C
• PSA: 46.53000
• Density: 1.377 g/cm³
• LogP: 1.86670
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• XLogP3: 2
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 2
• Exact Mass: 186.0083718
• Heavy Atom Count: 12
• Complexity: 162

Purity/Quality:

99% ^*data from raw suppliers

5-Chloro-2-hydroxy-3-methoxybenzaldehyde 97% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COC1=CC(=CC(=C1O)C=O)Cl

Technology Process of 5-Chloro-2-hydroxy-3-methoxybenzaldehyde

There total 5 articles about 5-Chloro-2-hydroxy-3-methoxybenzaldehyde which guide to synthetic route it. The literature collected by LookChem mainly comes from the sharing of users and the free literature resources found by Internet computing technology. We keep the original model of the professional version of literature to make it easier and faster for users to retrieve and use. At the same time, we analyze and calculate the most feasible synthesis route with the highest yield for your reference as below:

synthetic route:

Reference yield: 86.0%

2-hydroxy-3-methoxy-5-chloromandelic acid → 5-chloro-2-hydroxy-3-methoxy-benzaldehyde (7740-05-8)

Guidance literature:

With iron(III) chloride; In water; toluene; at 90 ℃; for 4h; Temperature;

Reference yield: 65.0%

3-methoxy-2-hydroxybenzaldehyde (148-53-8) → 5-chloro-2-hydroxy-3-methoxy-benzaldehyde (7740-05-8)

Guidance literature:

With Iodine monochloride; sodium hydrogencarbonate; In dichloromethane; at 0 ℃; for 0.75h;

DOI:10.1021/jo00018a048

Reference yield:

2-methoxy-phenol (90-05-1) → 5-chloro-2-hydroxy-3-methoxy-benzaldehyde (7740-05-8)

Guidance literature:

Multi-step reaction with 3 steps

1.1: sulfuryl dichloride / chloroform / 24 h / -5 - 60 °C / Inert atmosphere

2.1: sodium hydroxide; aluminum oxide / water / 0.08 h / Cooling with ice

2.2: 6 h / 60 °C / pH 9 - 10

3.1: iron(III) chloride / water; toluene / 4 h / 90 °C

With aluminum oxide; iron(III) chloride; sulfuryl dichloride; sodium hydroxide; In chloroform; water; toluene;

upstream raw materials:

3-methoxy-2-hydroxybenzaldehyde

4-Chloroguaiacol

2-methoxy-phenol

Downstream raw materials:

5-chloro-2,3-dimethoxybenzaldehyde

Refernces

• 1、 -. "A synthetic preparation method for small carbags hydrochloric acid". . . Retrieved 2021/12/08.
• 2、 -. "SUBSTITUTED ARYLAMINE COMPOUNDS AND THEIR USE AS 5-HT6 MODULATORS". Page/Page column 135. . Retrieved 2008/06/13.