SB 204070 hydrochloride

Base Information

• Chemical Name: SB 204070 hydrochloride
• CAS No.: 148702-58-3
• Molecular Formula: C₁₉H₂₇ClN₂O₄
• Molecular Weight: 382.887
• DSSTox Substance ID: DTXSID90164069
• Nikkaji Number: J550.695F
• Wikipedia: SB-204070
• Wikidata: Q7388901
• Pharos Ligand ID: B7MFCYGKLC8H
• ChEMBL ID: CHEMBL68131
• Mol file: 148702-58-3.mol

Synonyms:(1-butyl-4-piperidinyl)methyl 8-amino-7-chloro-1,4-benzodioxane-5-carboxylate hydrochloride;SB 204070;SB 204070A;SB-204070;SB-204070A

Chemical Property of SB 204070 hydrochloride

Chemical Property:

• Vapor Pressure: 2.65E-11mmHg at 25°C
• Melting Point: 243-245?°C(lit.)
• Boiling Point: 529.7°Cat760mmHg
• Flash Point: 274.1°C
• PSA: 74.02000
• Density: 1.217g/cm³
• LogP: 3.88140
• Solubility.: H2O: 20 mg/mL with heating
• XLogP3: 3.5
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 6
• Rotatable Bond Count: 7
• Exact Mass: 382.1659350
• Heavy Atom Count: 26
• Complexity: 459

Purity/Quality:

97% ^*data from raw suppliers

SB204070 ≥98%(HPLC) ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Total 1 MSDS from other Authors

Useful:

• Canonical SMILES: CCCCN1CCC(CC1)COC(=O)C2=CC(=C(C3=C2OCCO3)N)Cl
• Uses: SB 204070 is a selective 5-HT4 antagonist.

Technology Process of SB 204070 hydrochloride

There total 5 articles about SB 204070 hydrochloride 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:

4-carbethoxypiperidine (1126-09-6) → (1-butyl-4-piperidinylmethyl)-8-amino-7-chloro-1,4-benzodioxan-5-carboxylate (148702-58-3)

Guidance literature:

Multi-step reaction with 3 steps

1: K₂CO₃ / ethanol / Heating

2: LiAlH₄ / diethyl ether

3: 1.) 1,1'-carbonyldiimidazole, 2.) MeLi / 1.) MeCN, 2.) MeCN, THF

With lithium aluminium tetrahydride; methyllithium; potassium carbonate; 1,1'-carbonyldiimidazole; In diethyl ether; ethanol;

DOI:10.1021/jm00077a018

Reference yield:

ethyl 1-butylpiperidine-4-carboxylate (74045-89-9) → (1-butyl-4-piperidinylmethyl)-8-amino-7-chloro-1,4-benzodioxan-5-carboxylate (148702-58-3)

Guidance literature:

Multi-step reaction with 2 steps

1: LiAlH₄ / diethyl ether

2: 1.) 1,1'-carbonyldiimidazole, 2.) MeLi / 1.) MeCN, 2.) MeCN, THF

With lithium aluminium tetrahydride; methyllithium; 1,1'-carbonyldiimidazole; In diethyl ether;

DOI:10.1021/jm00077a018

Reference yield:

8-(acetylamino)-2,3-dihydro-1,4-benzodioxin-5-carboxylic acid (66411-27-6) → (1-butyl-4-piperidinylmethyl)-8-amino-7-chloro-1,4-benzodioxan-5-carboxylate (148702-58-3)

Guidance literature:

Multi-step reaction with 3 steps

1: Cl₂, AcOH

2: NaOH, H₂O / Heating

3: 1.) 1,1'-carbonyldiimidazole, 2.) MeLi / 1.) MeCN, 2.) MeCN, THF

With sodium hydroxide; water; methyllithium; chlorine; acetic acid; 1,1'-carbonyldiimidazole;

DOI:10.1021/jm00077a018

upstream raw materials:

N-butyl-4-hydroxymethyl-piperidine

8-amino-7-chloro-2,3-dihydro-benzo[1,4]dioxine-5-carboxylic acid

4-carbethoxypiperidine

ethyl 1-butylpiperidine-4-carboxylate

Refernces