4'-Methoxybutyrophenone

Base Information

• Chemical Name: 4'-Methoxybutyrophenone
• CAS No.: 4160-51-4
• Molecular Formula: C11H14 O2
• Molecular Weight: 178.231
• Hs Code.: 2914509090
• European Community (EC) Number: 223-995-5
• NSC Number: 5615
• UNII: Z9TA5W7AWP
• DSSTox Substance ID: DTXSID50194423
• Nikkaji Number: J224.958H
• Wikidata: Q72489412
• Mol file: 4160-51-4.mol

Synonyms:4'-Methoxybutyrophenone;1-(4-methoxyphenyl)butan-1-one;4160-51-4;p-Methoxybutyrophenone;4-Methoxybutyrophenone;1-Butanone, 1-(4-methoxyphenyl)-;Butyrophenone, 4'-methoxy-;1-(4-Methoxyphenyl)-1-butanone;Z9TA5W7AWP;AI3-23190;NSC 5615;NSC-5615;EINECS 223-995-5;4'-Methoxy-butyrophenone;UNII-Z9TA5W7AWP;SCHEMBL705208;DTXSID50194423;NSC5615;1-(4-methoxyphenyl)-butan-1-one;1-(4-Methoxyphenyl);butan-1-one;1-(4-Methoxyphenyl)-1-butanone #;MFCD00027138;STK503638;AKOS004911124;AS-60212;BB 0220359;CS-0039064;FT-0635161;EN300-68888;W12412;A825603;Z385418282

Chemical Property of 4'-Methoxybutyrophenone

Chemical Property:

• Appearance/Colour: white crystal
• Melting Point: 26oC
• Refractive Index: 1.5378-1.5398
• Boiling Point: 288.3°Cat760mmHg
• Flash Point: 124.3°C
• PSA: 26.30000
• Density: 1.001g/cm³
• LogP: 2.67800
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 178.099379685
• Heavy Atom Count: 13
• Complexity: 158

Purity/Quality:

99.9% ^*data from raw suppliers

1-(4-Methoxyphenyl)butan-1-one ^*data from reagent suppliers

Safty Information:

• Pictogram(s): UN NO.
• Hazard Codes: Xi
• Safety Statements: 24/25

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCC(=O)C1=CC=C(C=C1)OC

Technology Process of 4'-Methoxybutyrophenone

There total 55 articles about 4'-Methoxybutyrophenone 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: 98.0%

butanoic acid anhydride (106-31-0) + methoxybenzene (100-66-3) → 1-(4-methoxyphenyl)-1-butanone (4160-51-4)

Guidance literature:

With trifluoroacetic acid; at 20 ℃; for 1.5h;

DOI:10.1016/j.tetlet.2018.01.026

Reference yield: 97.0%

1-(4-methoxyphenyl)cyclobutan-1-ol (164171-80-6) → 1-(4-methoxyphenyl)-1-butanone (4160-51-4)

Guidance literature:

With 2,4,6-trimethyl-pyridine; iron(III) chloride; 1,2-bis(2,4,6-triisopropylphenyl)disulfane; tetrabutyl-ammonium chloride; In 1,2-dichloro-ethane; for 24h; Schlenk technique; Inert atmosphere; Irradiation; Sealed tube;

DOI:10.1021/acs.orglett.1c03137

Reference yield: 92.0%

1-(4-(methoxy)phenyl)butan-1-ol (22135-50-8,110480-90-5,110480-91-6) → 1-(4-methoxyphenyl)-1-butanone (4160-51-4)

Guidance literature:

With magnesium sulphate; vanadyl(IV) sulphate pentahydrate; 4-nitrophenyl(phenyl)methanol; 4,4'-di-tert-butyl-2,2'-bipyridine; In water; at 0 - 90 ℃; for 120h; under 750.075 Torr;

DOI:10.1016/j.tet.2014.02.032

upstream raw materials:

1-(4-methoxyphenyl)-but-2-en-1-one

butanoic acid anhydride

methoxybenzene

butyryl chloride

Downstream raw materials:

2-(4-methoxybenzoyl)butanal

2-bromo-1-(4-methoxyphenyl)butan-1-one

S-<3-(p-Methoxyphenyl)hexen-(2)-yl>isothiuroniumacetat

4-ethyl-5-(4-methoxy-phenyl)-4,5-dihydro-isoxazol-3-ylamine

Refernces

• 1、 Okumura, Kazu,Tomiyama, Takuya,Shirakawa, Shuhei,Ishida, Soichiro,Sanada, Takashi,Arao, Masazumi,Niwa, Miki. "Hydrothermal synthesis and catalysis of Nb2O5-WO x nanofiber crystal". . p. 229 - 235. Retrieved 2011.
• 2、 Feng, Kai-Wen,He, Jia-Peng,Liu, Lu,Wang, Hai-Tao,Xia, Chuang,Xu, Jiang-Ping,Zheng, Lei,Zhou, Zhong-Zhen. "Discovery of Novel 3-Amino-4-alkoxyphenylketones as PDE4 Inhibitors with Improved Oral Bioavailability and Safety against Spatial Memory Impairments". . p. 390 - 405. Retrieved 2022/02/07.
• 3、 -. "Aminophenone compounds as well as preparation method and application thereof". Paragraph 0047; 0051-0053; 0208-0209; 0213-0215. . Retrieved 2021/02/06.