4-(Allyloxy)-3-chlorobenzaldehyde

Base Information

• Chemical Name: 4-(Allyloxy)-3-chlorobenzaldehyde
• CAS No.: 58236-91-2
• Molecular Formula: C10H9ClO2
• Molecular Weight: 196.633
• Hs Code.: 2913000090
• European Community (EC) Number: 873-021-3
• DSSTox Substance ID: DTXSID30406379
• Wikidata: Q82211315
• Mol file: 58236-91-2.mol

Synonyms:58236-91-2;4-(Allyloxy)-3-chlorobenzaldehyde;4-Allyloxy-3-chlorobenzaldehyde;3-chloro-4-(prop-2-en-1-yloxy)benzaldehyde;3-chloro-4-prop-2-enoxybenzaldehyde;4-Allyloxy-3-chloro-benzaldehyde;CHEMBRDG-BB 4015102;SCHEMBL944430;DTXSID30406379;KMFXGBKTGDWRTF-UHFFFAOYSA-N;MFCD07432493;AKOS000295148;SB85415;VS-10054;BB 0241781;CS-0116742;EN300-66141;Z274767256

Chemical Property of 4-(Allyloxy)-3-chlorobenzaldehyde

Chemical Property:

• Vapor Pressure: 0.000698mmHg at 25°C
• Boiling Point: 308oC at 760 mmHg
• Flash Point: 133.1oC
• PSA: 26.30000
• Density: 1.19g/cm3
• LogP: 2.71730
• XLogP3: 2.7
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 4
• Exact Mass: 196.0291072
• Heavy Atom Count: 13
• Complexity: 182

Purity/Quality:

98% ^*data from raw suppliers

4-(allyloxy)-3-chlorobenzaldehyde ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C=CCOC1=C(C=C(C=C1)C=O)Cl

Technology Process of 4-(Allyloxy)-3-chlorobenzaldehyde

There total 5 articles about 4-(Allyloxy)-3-chlorobenzaldehyde 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%

4-hydroxy-3-chlorobenzaldehyde (2420-16-8) + allyl bromide (106-95-6) → 4-allyloxy-3-chloro-benzaldehyde (58236-91-2)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 65 ℃; for 18h; Inert atmosphere;

Reference yield: 96.0%

→ 4-allyloxy-3-chloro-benzaldehyde (58236-91-2)

Guidance literature:

Reference yield: 51.9%

aclofenac (22131-79-9) → 4-allyloxy-3-chloro-benzaldehyde (58236-91-2) + 4-(allyloxy)-3-chlorobenzoic acid (65650-44-4) + (4-allyloxy-3-chlorophenyl)methanol (144478-99-9)

Guidance literature:

With (5,10,15,20-tetrakis(pentafluorophenyl)porphyrinato)iron(III) chloride; iodosylbenzene; In dichloromethane; for 20h; Ambient temperature;

DOI:10.1016/S0040-4039(00)61242-X

upstream raw materials:

aclofenac

4-hydroxy-3-chlorobenzaldehyde

allyl bromide

4-hydroxy-benzaldehyde

Downstream raw materials:

(4-allyloxy-3-chlorophenyl)methanol

4-(2,3-dihydroxypropoxy)-3-chlorobenzaldehyde

(2S,3R)-2-Allyloxycarbonylamino-3-(4-allyloxy-3-chloro-phenyl)-3-hydroxy-propionic acid