2-(3-Bromopropoxy)benzaldehyde

Base Information

• Chemical Name: 2-(3-Bromopropoxy)benzaldehyde
• CAS No.: 17954-11-9
• Molecular Formula: C10H11BrO2
• Molecular Weight: 243.1
• Hs Code.: 2913000090
• NSC Number: 84067
• DSSTox Substance ID: DTXSID20292607
• Wikidata: Q82030979
• Mol file: 17954-11-9.mol

Synonyms:2-(3-bromopropoxy)benzaldehyde;17954-11-9;Benzaldehyde, 2-(3-bromopropoxy)-;NSC84067;NCIOpen2_004788;SCHEMBL7908486;DTXSID20292607;NSC-84067;AKOS000101909;A3981;FT-0659733

Chemical Property of 2-(3-Bromopropoxy)benzaldehyde

Chemical Property:

• Vapor Pressure: 6.75E-05mmHg at 25°C
• Refractive Index: 1.575
• Boiling Point: 344.1 °C at 760 mmHg
• Flash Point: 161.9 °C
• PSA: 26.30000
• Density: 1.419 g/cm³
• LogP: 2.66290
• XLogP3: 2.8
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 5
• Exact Mass: 241.99424
• Heavy Atom Count: 13
• Complexity: 150

Purity/Quality:

99% ^*data from raw suppliers

2-(3-BROMOPROPOXY)BENZALDEHYDE 95.00% ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

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

Technology Process of 2-(3-Bromopropoxy)benzaldehyde

There total 3 articles about 2-(3-Bromopropoxy)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: 97.0%

salicylaldehyde (90-02-8) + 1,3-dibromo-propane (109-64-8) → 2-(3-bromopropyloxy)benzaldehyde (17954-11-9)

Guidance literature:

With potassium carbonate; In N,N-dimethyl-formamide; at 20 ℃; for 72h;

DOI:10.1039/b907547j

Reference yield: 9.0%

2-methyl-benzyl alcohol (89-95-2) + 1,3-dibromo-propane (109-64-8) → 2-(3-bromopropyloxy)benzaldehyde (17954-11-9)

Guidance literature:

With potassium hydroxide; In ethanol; water; for 24h; Heating;

DOI:10.1016/S0968-0896(99)00118-2

Reference yield:

→ 2-(3-bromopropyloxy)benzaldehyde (17954-11-9)

Guidance literature:

DOI:10.1021/jo00838a046 DOI:10.1016/S0040-4039(01)90756-7

upstream raw materials:

salicylaldehyde

1,3-dibromo-propane

2-methyl-benzyl alcohol

Downstream raw materials:

2-(3-Azidopropoxy)benzaldehyde

2-[3-(1H-benzoimidazol-2-ylsulfanyl)-propoxy]-benzaldehyde

C₂₂H₂₄N₂O₇

2-[3-(nitrooxy)propoxy]benzoic acid

Refernces

• 1、 Hockless, David C. R.,Lindoy, Leonard F.,Swiegers, Gerhard F.,Bruce Wild. "Acid-catalysed rearrangements between 3,4-dihydro-2H-1,5-benzooxazocine and -benzothiazocine and their macrocyclic (16-membered, 24-membered and 32-membered) oligomers". . p. 117 - 122. Retrieved 1998.
• 2、 Muthusamy, Sengodagounder,Gangadurai, Chinnakuzhanthai. "“On water” cascade synthesis of benzopyranopyrazoles and their macrocycles". . p. 1501 - 1505. Retrieved 2018/03/21.