4-(Difluoromethoxy)benzaldehyde

Base Information

• Chemical Name: 4-(Difluoromethoxy)benzaldehyde
• CAS No.: 73960-07-3
• Molecular Formula: C8H6F2O2
• Molecular Weight: 172.131
• Hs Code.: 29130000
• European Community (EC) Number: 277-653-5
• DSSTox Substance ID: DTXSID30224696
• Nikkaji Number: J318.902C
• Wikidata: Q72463152
• Mol file: 73960-07-3.mol

Synonyms:4-(Difluoromethoxy)benzaldehyde;73960-07-3;4-difluoromethoxybenzaldehyde;p-(Difluoromethoxy)benzaldehyde;P-DIFLUOROMETHOXYBENZALDEHYDE;benzaldehyde, 4-(difluoromethoxy)-;EINECS 277-653-5;MFCD00042252;4-difluoromethoxy benzaldehyde;4-Difluoromethoxy-benzaldehyde;SCHEMBL607344;DTXSID30224696;CL8351;STK260854;4-(Difluoromethoxy)benzaldehyde, 95%;AKOS000103764;AM84050;CS-W008312;AC-26222;DS-14846;SY017706;A9514;D4334;FT-0616745;FT-0652858;EN300-01068;Z55671895

Chemical Property of 4-(Difluoromethoxy)benzaldehyde

Chemical Property:

• Appearance/Colour: COLORLESS TO YELLOW LIQUID
• Vapor Pressure: 0.0522mmHg at 25°C
• Refractive Index: n20/D 1.503(lit.)
• Boiling Point: 234.7 °C at 760 mmHg
• Flash Point: 93.1 °C
• PSA: 26.30000
• Density: 1.262 g/cm³
• LogP: 2.10050
• Storage Temp.: Room temperature.
• Sensitive.: Air Sensitive
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 3
• Exact Mass: 172.03358575
• Heavy Atom Count: 12
• Complexity: 142

Purity/Quality:

98%,99%, ^*data from raw suppliers

4-(Difluoromethoxy)benzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36/37/39-37/39-24/25

MSDS Files:

SDS file from LookChem

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: C1=CC(=CC=C1C=O)OC(F)F
• Uses: 4-(Difluoromethoxy)benzaldehyde may be used for the preparation of 4-(4-difluoro-methoxy-phen-yl)-1,2,3,4,5,6,7,8-octa-hydro-quinazoline-2,5-dione, via one-pot three-component reaction with cyclo-hexane-1,3-dione and urea.

Technology Process of 4-(Difluoromethoxy)benzaldehyde

There total 9 articles about 4-(Difluoromethoxy)benzaldehyde 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: 95.0%

Chlorodifluoromethane (75-45-6) + 4-hydroxy-benzaldehyde (123-08-0,65581-83-1) → 4-difluoromethoxybenzaldehyde (73960-07-3)

Guidance literature:

4-hydroxy-benzaldehyde; With sodium hydroxide; 18-crown-6 ether; In water; isopropyl alcohol; for 0.5h;

Chlorodifluoromethane; In water; isopropyl alcohol; at 65 ℃; for 5 - 6h;

Reference yield: 75.0%

sodium chlorodifluoroacetate (1895-39-2) + 4-hydroxy-benzaldehyde (123-08-0,65581-83-1) → 4-difluoromethoxybenzaldehyde (73960-07-3)

Guidance literature:

With potassium carbonate; In water; N,N-dimethyl-formamide; at 100 ℃; for 15h;

Reference yield: 72.0%

diethyl (bromodifluoromethyl)phosphonate (65094-22-6) + 4-hydroxy-benzaldehyde (123-08-0,65581-83-1) → 4-difluoromethoxybenzaldehyde (73960-07-3)

Guidance literature:

With potassium hydroxide; In water; acetonitrile; at -78 - 20 ℃; for 0.333333h;

upstream raw materials:

Chlorodifluoromethane

4-hydroxy-benzaldehyde

[bromo(difluoro)methyl]-trimethyl-silane

4-formylphenylboronic acid,

Downstream raw materials:

(E)-3-(4-(difluoromethoxy)phenyl)acrylic acid

3-(4-difluoromethoxyphenyl)-3-aminopropionic acid

N-acetyl-4-difluoromethoxyphenylalanine

4-Difluoromethoxy-benzylamine; hydrochloride

Refernces

• 1、 -. "Difluoromethoxy substituted diphenylethane and trans-distyrene derivative and preparation method and application thereof". Paragraph 0027; 0028. . Retrieved 2017/12/14.
• 2、 -. "Nitro imidazole heterocyclic compound and its in the preparation of medicine for treating tuberculosis the application of the". Paragraph 0061; 0062. . Retrieved 2016/10/10.