2-Hydroxy-5-methylbenzaldehyde

Base Information

• Chemical Name: 2-Hydroxy-5-methylbenzaldehyde
• CAS No.: 613-84-3
• Molecular Formula: C8H8O2
• Molecular Weight: 136.15
• Hs Code.: 29124990
• European Community (EC) Number: 210-357-6
• NSC Number: 97517
• UNII: PZU8U5VYK2
• DSSTox Substance ID: DTXSID7060625
• Nikkaji Number: J94.920E
• Wikidata: Q72497489
• Mol file: 613-84-3.mol

Synonyms:2-Hydroxy-5-methylbenzaldehyde;613-84-3;5-Methylsalicylaldehyde;Benzaldehyde, 2-hydroxy-5-methyl-;2,5-Cresotaldehyde;5-Methylsalicylic aldehyde;2-Hydroxy-5-Methyl-Benzaldehyde;MFCD00274297;NSC 97517;PZU8U5VYK2;2-Hydroxy-5-Methyl Benzaldehyde;EINECS 210-357-6;NSC-97517;NSC97517;5methylsalicylaldehyde;5-methyl salicylaldehyde;4-hydroxy-m-tolualdehyde;UNII-PZU8U5VYK2;SCHEMBL172664;5-methyl-2-hydroxy-benzaldehyde;DTXSID7060625;CL8984;STK090685;2-Hydroxy-5-methylbenzaldehyde, 98%;AKOS000112539;CS-W008835;GS-3334;AC-22661;SY017271;A8513;AM20040859;FT-0620670;M1676;EN300-54371;Q-102837;W-206234;Z274774390

Chemical Property of 2-Hydroxy-5-methylbenzaldehyde

Chemical Property:

• Appearance/Colour: Pale yellow to yellow crystalline powder
• Vapor Pressure: 0.09mmHg at 25°C
• Melting Point: 54-57 ºC
• Refractive Index: 1.601
• Boiling Point: 217 ºC
• PKA: 8.47±0.18(Predicted)
• Flash Point: 85.1 °C
• PSA: 37.30000
• Density: 1.175
• LogP: 1.51310
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• Solubility.: soluble in Methanol
• XLogP3: 1.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 136.052429494
• Heavy Atom Count: 10
• Complexity: 122

Purity/Quality:

99% ^*data from raw suppliers

5-Methylsalicylaldehyde >98.0%(GC)(T) ^*data from reagent suppliers

Safty Information:

• 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: CC1=CC(=C(C=C1)O)C=O
• Uses: 2-Hydroxy-5-methylbenzaldehyde is used in preparation of novel 2-Phenylcyclopropanamine derivatives as Lysine-specific Demethylase 1 inhibitors (LSD1-inhibitors) for prevention or treatment of primary brain tumor.

Technology Process of 2-Hydroxy-5-methylbenzaldehyde

There total 46 articles about 2-Hydroxy-5-methylbenzaldehyde 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: 97.0%

2-hydroxymethyl-4-methylphenol (4383-07-7) → 2-hydroxy-5-methylbenzaldehyde (613-84-3)

Guidance literature:

With silica gel; 4-acetylamino-2,2,6,6-tetramethylpiperidine-1-oxoammonium perchlorate; In dichloromethane;

DOI:10.1021/jo981322c

Reference yield: 96.0%

formaldehyd (50-00-0,30525-89-4,61233-19-0) + p-cresol (106-44-5) → 2-hydroxy-5-methylbenzaldehyde (613-84-3)

Guidance literature:

With (C₄H₉)3N; tin(IV) chloride; In toluene; at 100 ℃;

Reference yield: 95.0%

p-cresol (106-44-5) + chloroform (67-66-3,8013-54-5) → 2-hydroxy-5-methylbenzaldehyde (613-84-3)

Guidance literature:

With sodium hydroxide; for 2h; Reflux;

DOI:10.1007/s00044-015-1490-x

upstream raw materials:

formaldehyd

p-cresol

chloral hydrate

hydrogen cyanide

Downstream raw materials:

2-hydroxy-5-methyl-benzaldehyde-[2]pyridylimine

4-methyl-1,2-dihydroxybenzene

6-methyl-3-phenylcoumarin

3-chloromethyl-5-methylsalicylaldehyde

Refernces

• 1、 Yu, Qishun,Lu, Chengrong,Zhao, Bei. "Enantioselective Hydroboration of Ketones Catalyzed by Rare-Earth-Metal Complexes Supported with Phenoxy-Functionalized TsDPEN Ligands". supporting information. p. 2529 - 2537. Retrieved 2021/07/28.
• 2、 Wei, Zheyu,Ru, Shi,Zhao, Qixin,Yu, Han,Zhang, Gang,Wei, Yongge. "Highly efficient and practical aerobic oxidation of alcohols by inorganic-ligand supported copper catalysis". supporting information. p. 4069 - 4075. Retrieved 2019/08/07.