1,3-Dichloro-2-(prop-2-yn-1-yloxy)benzene

Base Information

• Chemical Name: 1,3-Dichloro-2-(prop-2-yn-1-yloxy)benzene
• CAS No.: 3598-66-1
• Molecular Formula: C9H6 Cl2 O
• Molecular Weight: 201.052
• Hs Code.: 2909309090
• DSSTox Substance ID: DTXSID10380284
• Nikkaji Number: J265.516K
• Wikidata: Q82170466
• Mol file: 3598-66-1.mol

Synonyms:3598-66-1;1,3-dichloro-2-(prop-2-yn-1-yloxy)benzene;3-(2,6-DICHLOROPHENOXY)-1-PROPYNE;1,3-dichloro-2-prop-2-ynoxybenzene;31401,3-Dichloro-2-(prop-2-ynyloxy)benzene;(2,6-Dichlorphenyl)-propargylether;1,3-dichloro-2-(prop-2-ynyloxy)benzene;CDS1_000613;Maybridge1_002901;DivK1c_001653;SCHEMBL186344;HMS549L19;DTXSID10380284;3-(2,6-dichlorophenoxy)prop-1-yne;MFCD00052717;AKOS008950299;AS-9109;CCG-244102;CD 06185;2,6-dichlorophenyl prop-2-yn-1-yl ether;CS-0316074;FT-0613517;1,3-Dichloro-2-[(prop-2-yn-1-yl)oxy]benzene;3-(2,6-Dichlorophenoxy)-1-propyne, AldrichCPR;A918548

Chemical Property of 1,3-Dichloro-2-(prop-2-yn-1-yloxy)benzene

Chemical Property:

• Vapor Pressure: 0.00987mmHg at 25°C
• Melting Point: 40-42°C
• Boiling Point: 272.9°Cat760mmHg
• Flash Point: 114.1°C
• PSA: 9.23000
• Density: 1.304g/cm³
• LogP: 3.00540
• XLogP3: 3.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 1
• Rotatable Bond Count: 2
• Exact Mass: 199.9795702
• Heavy Atom Count: 12
• Complexity: 174

Purity/Quality:

99%, ^*data from raw suppliers

1,3-Dichloro-2-(prop-2-ynyloxy)benzene ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36
• Safety Statements: 22-24/25-26

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C#CCOC1=C(C=CC=C1Cl)Cl

Technology Process of 1,3-Dichloro-2-(prop-2-yn-1-yloxy)benzene

There total 2 articles about 1,3-Dichloro-2-(prop-2-yn-1-yloxy)benzene 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:

2,6-Dichlorophenol (87-65-0) + propargyl bromide (106-96-7) → (2,6-Dichlorphenyl)-propargylether (3598-66-1)

Guidance literature:

Multistep reaction; (i) aq. NaOH, DMF, (ii) /BRN= 605309/;

DOI:10.1002/hlca.19730560502

Reference yield:

→ (2,6-Dichlorphenyl)-propargylether (3598-66-1)

Guidance literature:

2,6-Dichlorphenol, Br-CH2-C-=CH;

Reference yield: 92.0%

nitroacetic acid ethyl ester (626-35-7) + (2,6-Dichlorphenyl)-propargylether (3598-66-1) → ethyl 5-((2,6-dichlorophenoxy)methyl)isoxazole-3-carboxylate

Guidance literature:

With 2,2,6,6-tetramethyl-piperidine-N-oxyl; oxygen; In water; at 60 ℃; for 4h; Green chemistry;

DOI:10.1021/acs.joc.9b01896

upstream raw materials:

2,6-Dichlorophenol

propargyl bromide

Downstream raw materials:

C₂₇H₂₈Cl₂F₂N₄O₁₀

(7-chloroquinolin-4-yl)-{2-[4-(2,6-dichlorophenoxymethyl)-[1,2,3]triazol-1-yl]ethyl}amine

4-((2,6-dichlorophenoxy)methyl)-1-(2-(2-methyl-5-nitro-1H-imidazol-1-yl)ethyl)-1H-1,2,3-triazole

C₁₄H₁₂Cl₂N₆O₃

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