2-amino-3-(4-chloro-1H-indol-3-yl)propanoic acid

Base Information

• Chemical Name: 2-amino-3-(4-chloro-1H-indol-3-yl)propanoic acid
• CAS No.: 118244-93-2
• Molecular Formula: C₁₁H₁₁ClN₂O₂
• Molecular Weight: 238.674
• Hs Code.: 2933998090
• DSSTox Substance ID: DTXSID30555058
• Metabolomics Workbench ID: 44374
• Wikidata: Q82436284
• Mol file: 118244-93-2.mol

Synonyms:118244-93-2;4-chloro-DL-tryptophan;2-amino-3-(4-chloro-1H-indol-3-yl)propanoic acid;L-4-Chlorotryptophan;4-chlorotryptophan;S-4-Chlorotryptophan;4-Chloro-D,L-tryptophan;SCHEMBL9011531;SCHEMBL18029012;DTXSID30555058;CHEBI:170088;CBA54241;A50402

Chemical Property of 2-amino-3-(4-chloro-1H-indol-3-yl)propanoic acid

Chemical Property:

• Boiling Point: 476.9±45.0 °C(Predicted)
• PKA: 2.19±0.10(Predicted)
• PSA: 79.11000
• Density: 1.474±0.06 g/cm3(Predicted)
• LogP: 2.47600
• XLogP3: -0.5
• Hydrogen Bond Donor Count: 3
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 3
• Exact Mass: 238.0509053
• Heavy Atom Count: 16
• Complexity: 275

Purity/Quality:

97% ^*data from raw suppliers

4-Chloro-DL-tryptophan ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1=CC2=C(C(=C1)Cl)C(=CN2)CC(C(=O)O)N

Technology Process of 2-amino-3-(4-chloro-1H-indol-3-yl)propanoic acid

There total 9 articles about 2-amino-3-(4-chloro-1H-indol-3-yl)propanoic acid 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:

6-chloro-2-nitrotoluene (83-42-1) → 4-chloro-DL-tryptophan (118244-93-2,27542-41-2,52448-14-3)

Guidance literature:

Multi-step reaction with 6 steps

1: DMSO, TritonB / methanol

2: H₂ / 5percent Pd-C / ethyl acetate

3: 80 percent / RuCl₂(PPh₃)3 / toluene / Heating

4: 82 percent / AcOH

5: 87 percent / P(C₄H₉)3 / Heating

6: 1) 10percent NaOH, 2) HS(CH₂)2SO₃H / 1) reflux, 7 h, 2) 110 deg C, 16 h

With 2-Mercaptoethanesulfonic acid; sodium hydroxide; P(C₄H₉)3; hydrogen; N-benzyl-trimethylammonium hydroxide; acetic acid; dimethyl sulfoxide; palladium on activated charcoal; tris(triphenylphosphine)ruthenium(II) chloride; In methanol; ethyl acetate; toluene;

DOI:10.1016/S0040-4039(00)77491-0

Reference yield:

2-(2-chloro-6-nitrophenyl)-ethanol (102493-68-5) → 4-chloro-DL-tryptophan (118244-93-2,27542-41-2,52448-14-3)

Guidance literature:

Multi-step reaction with 5 steps

1: H₂ / 5percent Pd-C / ethyl acetate

2: 80 percent / RuCl₂(PPh₃)3 / toluene / Heating

3: 82 percent / AcOH

4: 87 percent / P(C₄H₉)3 / Heating

5: 1) 10percent NaOH, 2) HS(CH₂)2SO₃H / 1) reflux, 7 h, 2) 110 deg C, 16 h

With 2-Mercaptoethanesulfonic acid; sodium hydroxide; P(C₄H₉)3; hydrogen; acetic acid; palladium on activated charcoal; tris(triphenylphosphine)ruthenium(II) chloride; In ethyl acetate; toluene;

DOI:10.1016/S0040-4039(00)77491-0

Reference yield:

2-(2-amino-6-chlorophenyl)ethyl alcohol (100376-53-2) → 4-chloro-DL-tryptophan (118244-93-2,27542-41-2,52448-14-3)

Guidance literature:

Multi-step reaction with 4 steps

1: 80 percent / RuCl₂(PPh₃)3 / toluene / Heating

2: 82 percent / AcOH

3: 87 percent / P(C₄H₉)3 / Heating

4: 1) 10percent NaOH, 2) HS(CH₂)2SO₃H / 1) reflux, 7 h, 2) 110 deg C, 16 h

With 2-Mercaptoethanesulfonic acid; sodium hydroxide; P(C₄H₉)3; acetic acid; tris(triphenylphosphine)ruthenium(II) chloride; In toluene;

DOI:10.1016/S0040-4039(00)77491-0

upstream raw materials:

4-chloro-3-dimethylaminomethylindole

ethyl acetamidoacetate

oxalic acid diethyl ester

acetylamino-(4-chloro-indol-3-ylmethyl)-malonic acid diethyl ester

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 118244-93-2 2-amino-3-(4-chloro-1H-indol-3-yl)propanoic acid

Send

Send

Metric Ton KG G Pound L ML

Send

Send