2',4',6'-Trihydroxy-3'-methylbutyrophenone

Base Information

• Chemical Name: 2',4',6'-Trihydroxy-3'-methylbutyrophenone
• CAS No.: 1509-06-4
• Molecular Formula: C11H14O4
• Molecular Weight: 210.23
• Hs Code.: 2914400090
• Mol file: 1509-06-4.mol

Synonyms:2.4.6-Trihydroxy-3-butyryl-toluol;2-Butyryl-4-methyl-phloroglucin;Butyrophenone,2',4',6'-trihydroxy-3'-methyl;2',4',6'-Trihydroxy-3'-methylbutyrophenone;2-Methyl-4-butyryl-phloroglucin;3-Methyl-butyrylphloroglucinol;methylphlorbutyrophenon;

Chemical Property of 2',4',6'-Trihydroxy-3'-methylbutyrophenone

Chemical Property:

• Melting Point: 154-155 °C
• Boiling Point: 356.1±37.0 °C(Predicted)
• PKA: 7.77±0.50(Predicted)
• PSA: 77.76000
• Density: 1.269±0.06 g/cm3(Predicted)
• LogP: 2.09460

Purity/Quality:

99%, ^*data from raw suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of 2',4',6'-Trihydroxy-3'-methylbutyrophenone

There total 19 articles about 2',4',6'-Trihydroxy-3'-methylbutyrophenone 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: 87.0%

2,4,6-trihydroxytoluene (88-03-9) + butyryl chloride (141-75-3) → 1-[3-methyl-2,4,6-trihydroxyphenyl]-1-butanone (1509-06-4)

Guidance literature:

2,4,6-trihydroxytoluene; With carbon disulfide; zinc(II) chloride; In water; nitrobenzene; at 45 ℃; for 0.5h; Inert atmosphere;

butyryl chloride; In water; nitrobenzene; for 2h;

Reference yield: 71.3%

1-(2,4,6-trimethoxy-3-methylphenyl)butan-1-one → 1-[3-methyl-2,4,6-trihydroxyphenyl]-1-butanone (1509-06-4)

Guidance literature:

With aluminum (III) chloride; for 4h; Inert atmosphere; Reflux;

Reference yield:

dewaxed lignin from Chinese quince fruits (Chaenomeles sinensis), extracted at 200 °C over 90 min by 60% ethanol-water mixture → 3,4-dimethoxyphenol (2033-89-8) + 4-allylguaiacol (97-53-0) + 1,3-dimethoxy-2-hydroxy-benzene (91-10-1) + 2-Methoxy-4-methylphenol (93-51-6) + 2-methoxy-4-n-propylphenol (2785-87-7) + 3-methocycatechol (934-00-9) + 1,2,3-trimethoxybenzene (634-36-6) + 2,4,6-trihydroxyacetophenone (480-66-0,67471-34-5) + 4-allyl-2,6-dimethoxyphenol (6627-88-9) + 1-(4-hydroxy-3,5-dimethoxy-phenyl)-ethanone (2478-38-8) + 3-methoxy-4-hydroxystyrene (7786-61-0,31853-85-7) + 4-Ethylguaiacol (2785-89-9) + 1-(4-hydroxy-3-methoxyphenyl)2-propanone (2503-46-0) + 1-[3-methyl-2,4,6-trihydroxyphenyl]-1-butanone (1509-06-4) + 3-hydroxy-5-tert-butyl-catechol (20481-17-8) + homovanillyl alcohol (2380-78-1) + benzene-1,2-diol (120-80-9,19481-10-8,37349-32-9) + 2-methoxy-phenol (90-05-1) + 4-methyl-1,2-dihydroxybenzene (452-86-8) + syringic aldehyde (134-96-3) + phenol (108-95-2,27073-41-2)

Guidance literature:

at 500 ℃; for 0.00555556h; Pyrolysis;

DOI:10.1016/j.ijbiomac.2020.08.249

upstream raw materials:

propyl cyanide

2,4,6-trihydroxytoluene

3-butyryl-2,4,6-trihydroxy-5-methyl-benzoic acid methyl ester

butyryl chloride

Downstream raw materials:

2-butyryl-6-(3-butyryl-2,4,6-trihydroxy-5-methyl-benzyl)-3,5-dihydroxy-4,4-dimethyl-cyclohexa-2,5-dienone

1,1'-(methylenebis(2,4,6-trihydroxy-3-methyl-5,1-phenylene))bis(butan-1-one)

1-(4,6-bis-benzyloxy-2-hydroxy-3-methyl-phenyl)-butan-1-one

flavaspiridic acid AB

Refernces

• 1、 Cheng, Xi-Chuang,Guo, Xin-Ran,Liu, Hua-Min,Liu, Yu-Lan,Qin, Zhao,Wang, Xue-De. "Structural features and antioxidant activities of Chinese quince (Chaenomeles sinensis) fruits lignin during auto-catalyzed ethanol organosolv pretreatment". . p. 4348 - 4358. Retrieved 2020/09/22.
• 2、 Wu, Jie,Mu, Ran,Sun, Mingna,Zhao, Nan,Pan, Miaomiao,Li, Hongshuang,Dong, Yi,Sun, Zhaogang,Bai, Jie,Hu, Minwan,Nathan, Carl F.,Javid, Babak,Liu, Gang. "Derivatives of Natural Product Agrimophol as Disruptors of Intrabacterial pH Homeostasis in Mycobacterium tuberculosis". . p. 1087 - 1104. Retrieved 2019/05/22.