3-Chloro-2-methoxyaniline

Base Information

• Chemical Name: 3-Chloro-2-methoxyaniline
• CAS No.: 51114-68-2
• Molecular Formula: C7H8 Cl N O
• Molecular Weight: 157.6
• Hs Code.: 2922299090
• European Community (EC) Number: 624-234-3
• DSSTox Substance ID: DTXSID80199123
• Nikkaji Number: J160.871A
• Wikidata: Q83072019
• Mol file: 51114-68-2.mol

Synonyms:3-Chloro-2-methoxyaniline;51114-68-2;3-Chloro-o-anisidine;Benzenamine, 3-chloro-2-methoxy-;2-amino-6-chloroanisole;Aniline, 3-chloro-2-methoxy-;MFCD00060607;salzsaures o-Anisidin;3-chloro-2-methoxy aniline;3-Chloro-o-anisidine, 97%;SCHEMBL110638;3-chloro-2-methoxy-phenylamine;Aniline, 3-chloro-2-methoxy-,;DTXSID80199123;VPZJHTWLWKFPQW-UHFFFAOYSA-N;CL8417;STK662112;AKOS000101563;CS-W014291;PS-6199;SB74675;SY010275;FT-0709032;EN300-52420;A856541;Z274541918

Chemical Property of 3-Chloro-2-methoxyaniline

Chemical Property:

• Vapor Pressure: 0.0278mmHg at 25°C
• Melting Point: 179-180℃ (Decomposition)
• Boiling Point: 162.4°Cat760mmHg
• PKA: 3.48±0.10(Predicted)
• Flash Point: 57.7°C
• PSA: 35.25000
• Density: 1.555g/cm³
• LogP: 2.51200
• Storage Temp.: Keep in dark place,Sealed in dry,Room Temperature
• XLogP3: 1.8
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 2
• Rotatable Bond Count: 1
• Exact Mass: 157.0294416
• Heavy Atom Count: 10
• Complexity: 110

Purity/Quality:

98%,99%, ^*data from raw suppliers

3-Chloro-2-methoxyaniline ^*data from reagent suppliers

Safty Information:

• Pictogram(s): Xi
• Hazard Codes: Xi
• Statements: 36/37/38
• Safety Statements: 26-36

MSDS Files:

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: COC1=C(C=CC=C1Cl)N
• Uses: 3-Chloro-o-anisidine may be used in chemical synthesis studies.

Technology Process of 3-Chloro-2-methoxyaniline

There total 2 articles about 3-Chloro-2-methoxyaniline 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:

1-chloro-2-methoxy-3-nitro-benzene (80866-77-9) → 3-chloro-2-methoxyaniline (51114-68-2)

Guidance literature:

With hydrogenchloride; iron;

DOI:10.1021/ja01211a040

Reference yield:

1,2-Dichloro-3-nitrobenzene (3209-22-1) → 3-chloro-2-methoxyaniline (51114-68-2)

Guidance literature:

Multi-step reaction with 2 steps

1: diisopropylamine / methanol / 5 h / 60 °C

2: hydrogen; 1% platinum on charcoal / toluene / 18 h / 40 °C / 3375.34 Torr / Autoclave

With 1% platinum on charcoal; hydrogen; diisopropylamine; In methanol; toluene;

Reference yield: 100.0%

thiophosgene (463-71-8) + 3-chloro-2-methoxyaniline (51114-68-2) → 1-chloro-3-isothiocyanato-2-methoxybenzene (127142-64-7)

Guidance literature:

With sodium hydrogencarbonate; In dichloromethane; at 0 ℃; for 2h;

upstream raw materials:

1-chloro-2-methoxy-3-nitro-benzene

1,2-Dichloro-3-nitrobenzene

Downstream raw materials:

3-chloro-2-methoxy-N,N-dimethyl-aniline

2-chloro-6-iodo-anisole

acetic acid-(3-chloro-2-methoxy-anilide)

chloro-acetic acid-(3-chloro-2-methoxy-anilide)

Refernces

• 1、 -. "A 2-chloro-6-fluoro anisole and wherein the intermediate preparation method". Paragraph 0042; 0043. . Retrieved 2017/02/23.