1-Chloro-3,4-dihydronaphthalene-2-carbaldehyde

Base Information

• Chemical Name: 1-Chloro-3,4-dihydronaphthalene-2-carbaldehyde
• CAS No.: 3262-03-1
• Molecular Formula: C11H9ClO
• Molecular Weight: 192.645
• Hs Code.: 2913000090
• European Community (EC) Number: 221-866-8
• NSC Number: 141813
• UNII: 2QE2WH6M6J
• DSSTox Substance ID: DTXSID50186308
• Nikkaji Number: J262.362E
• Wikidata: Q83057559
• ChEMBL ID: CHEMBL1797251
• Mol file: 3262-03-1.mol

Synonyms:1-C-DNCA cpd;1-chloro-3,4-dihydronaphthalene-2-carboxaldehyde

Chemical Property of 1-Chloro-3,4-dihydronaphthalene-2-carbaldehyde

Chemical Property:

• Vapor Pressure: 0.000564mmHg at 25°C
• Melting Point: 36-39 °C
• Refractive Index: 1.592
• Boiling Point: 311.4 °C at760mmHg
• Flash Point: 154.5 °C
• PSA: 17.07000
• Density: 1.24 g/cm³
• LogP: 2.78160
• XLogP3: 2.5
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 1
• Exact Mass: 192.0341926
• Heavy Atom Count: 13
• Complexity: 245

Purity/Quality:

1-Chloro-3,4-dihydro-2-naphthalenecarbaldehyde >95% ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xn
• Hazard Codes: Xn
• Statements: 22

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CC(=C(C2=CC=CC=C21)Cl)C=O
• Uses: 1-Chloro-3,4-dihydronaphthalene-2-carbaldehyde

Technology Process of 1-Chloro-3,4-dihydronaphthalene-2-carbaldehyde

There total 3 articles about 1-Chloro-3,4-dihydronaphthalene-2-carbaldehyde 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: 96.0%

N,N-dimethyl-formamide (68-12-2,33513-42-7) + 3,4-dihydronaphthalene-1(2H)-one (529-34-0) → 1-chloro-2-formyl-3,4-dihydronaphthalene (3262-03-1)

Guidance literature:

N,N-dimethyl-formamide; With trichlorophosphate; In dichloromethane; at 20 ℃; for 2h;

3,4-dihydronaphthalene-1(2H)-one; In dichloromethane; at 20 ℃; for 16h;

Reference yield: 15.0%

N,N-dimethyl-formamide (68-12-2,33513-42-7) + α-tetralone semicarbazone (56384-70-4) → 1-chloro-2-formyl-3,4-dihydronaphthalene (3262-03-1) + 4,5-dihydro-2H-benzo[g]indazole (19379-86-3)

Guidance literature:

With trichlorophosphate; at 20 - 65 ℃; for 7h;

DOI:10.1002/jhet.5570430219

Reference yield:

→ 1-chloro-2-formyl-3,4-dihydronaphthalene (3262-03-1)

Guidance literature:

3,4-Dihydronaphthalin-1(2H)-on, DMF/POCl3;

upstream raw materials:

N,N-dimethyl-formamide

3,4-dihydronaphthalene-1(2H)-one

α-tetralone semicarbazone

Downstream raw materials:

8,10-diamino-5,6-dihydrobenzopyrimido<4,5-b>quinoline

1-chloro-2-hydroxymethyl-3,4-dihydronaphthalene

5,6,8,9-tetrahydrodibenzacridine

1-(2-methylphenyl)-3,4-dihydronaphthalene-2-carbaldehyde