4-Isopropoxybenzaldehyde

Base Information

• Chemical Name: 4-Isopropoxybenzaldehyde
• CAS No.: 18962-05-5
• Molecular Formula: C10H12 O2
• Molecular Weight: 164.204
• Hs Code.: 2912499000
• NSC Number: 69072
• DSSTox Substance ID: DTXSID50290510
• Nikkaji Number: J946.317H
• Wikidata: Q72486132
• ChEMBL ID: CHEMBL5075900
• Mol file: 18962-05-5.mol

Synonyms:4-Isopropoxybenzaldehyde;18962-05-5;4-propan-2-yloxybenzaldehyde;Benzaldehyde, 4-(1-methylethoxy)-;4-(propan-2-yloxy)benzaldehyde;4-ISOPROPOXY-1-FORMYLBENZENE;MFCD00052357;ALDH1A3-IN-3;CHEMBL5075900;NSC 69072;4-iso-Propoxybenzaldehyde;4-(Propan-2-Yl-Oxy)Benzaldehyde;NSC69072;p-isopropoxybenzaldehyde;4-isopropoxy-benzaldehyde;4-iso-propyloxybenzaldehyde;4-isopropyloxy benzaldehyde;4-(isopropyloxy)benzaldehyde;4-(isopropyloxy)-benzaldehyde;SCHEMBL384361;4-(1-methylethoxy)-benzaldehyde;DTXSID50290510;Benzaldehyde,4-(1-methylethoxy)-;4-isopropoxybenzaldehyde, AldrichCPR;BBL028041;BDBM50585950;NSC-69072;STK346821;AKOS000190485;CS-W017902;HY-W017186;DS-14340;BB 0237064;FT-0618820;FT-0646973;I0949;EN300-39747;A813335;W-201692;Z53833127;4-isopropoxybenzaldehyde;F1997-0003

Chemical Property of 4-Isopropoxybenzaldehyde

Chemical Property:

• Appearance/Colour: clear colorless to yellow liquid
• Vapor Pressure: 0.00982mmHg at 25°C
• Melting Point: 167 °C
• Refractive Index: 1.545-1.547
• Boiling Point: 264.2°Cat760mmHg
• Flash Point: 112.9°C
• PSA: 26.30000
• Density: 1.036g/cm³
• LogP: 2.28630
• Storage Temp.: under inert gas (nitrogen or Argon) at 2-8°C
• Sensitive.: Air Sensitive
• XLogP3: 2.6
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 3
• Exact Mass: 164.083729621
• Heavy Atom Count: 12
• Complexity: 135

Purity/Quality:

99% ^*data from raw suppliers

4-Isopropoxybenzaldehyde ^*data from reagent suppliers

Safty Information:

• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 37/39-26-36

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CC(C)OC1=CC=C(C=C1)C=O

Technology Process of 4-Isopropoxybenzaldehyde

There total 7 articles about 4-Isopropoxybenzaldehyde 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: 99.0%

4-hydroxy-benzaldehyde (123-08-0,65581-83-1) + isopropyl bromide (75-26-3) → 4-isopropoxybenzaldehyde (18962-05-5)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 55 ℃; for 2h;

DOI:10.1055/s-0030-1260115

Reference yield: 93.0%

→ 4-isopropoxybenzaldehyde (18962-05-5)

Guidance literature:

Reference yield: 78.0%

4-fluorobenzaldehyde (459-57-4) + isopropyl alcohol (67-63-0,8013-70-5) → 4-isopropoxybenzaldehyde (18962-05-5)

Guidance literature:

isopropyl alcohol; With N-benzyl-trimethylammonium hydroxide; for 0.166667h; Neat (no solvent);

4-fluorobenzaldehyde; at 70 ℃; for 0.833333h; Neat (no solvent);

DOI:10.1080/00397910903219518

upstream raw materials:

2-iodo-propane

4-hydroxy-benzaldehyde

isopropyl bromide

4-fluorobenzaldehyde

Downstream raw materials:

3-((Ξ)-4-isopropoxy-benzylidene)-dihydro-furan-2-one

4,4'-diisopropoxy-trans-stilbene

(4-isopropoxy-benzylidene)-(4-phenylazo-[1]naphthyl)-amine

4-isopropoxy-benzaldehyde-selenosemicarbazone

Refernces

• 1、 -. "NOVEL COMPOUNDS FOR SKIN LIGHTENING". Page/Page column 11; 12. . Retrieved 2021/03/05.
• 2、 Sadurní, Anna,Kehr, Gerald,Ahlqvist, Marie,Wernevik, Johan,Sj?gren, Helena Peilot,Kankkonen, Cecilia,Knerr, Laurent,Gilmour, Ryan. "Fluorine-Directed Glycosylation Enables the Stereocontrolled Synthesis of Selective SGLT2 Inhibitors for Type II Diabetes". supporting information. p. 2832 - 2836. Retrieved 2017/12/26.