SP 1 (pharmaceutical)

Base Information

• Chemical Name: SP 1 (pharmaceutical)
• CAS No.: 26685-57-4
• Molecular Formula: C₂₆H₃₇NO₂
• Molecular Weight: 395.585
• NSC Number: 167790
• UNII: 5HF6EE0TC4
• DSSTox Substance ID: DTXSID00949501
• Nikkaji Number: J20.079D
• Wikipedia: A-40174
• Wikidata: Q4646872
• ChEMBL ID: CHEMBL66108
• Mol file: 26685-57-4.mol

Synonyms:Abbott 40174

Chemical Property of SP 1 (pharmaceutical)

Chemical Property:

• Vapor Pressure: 2.42E-11mmHg at 25°C
• Boiling Point: 517.8°Cat760mmHg
• PKA: 9.96±0.40(Predicted)
• Flash Point: 267°C
• PSA: 32.70000
• Density: 1.07g/cm³
• LogP: 5.91350
• Storage Temp.: -20°C
• XLogP3: 5.7
• Hydrogen Bond Donor Count: 1
• Hydrogen Bond Acceptor Count: 3
• Rotatable Bond Count: 7
• Exact Mass: 395.282429423
• Heavy Atom Count: 29
• Complexity: 642

Purity/Quality:

99% ^*data from raw suppliers

SP1 ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: CCCCCC(C)C(C)C1=CC(=C2C3=C(CCN(C3)CC#C)C(OC2=C1)(C)C)O

Technology Process of SP 1 (pharmaceutical)

There total 21 articles about SP 1 (pharmaceutical) 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-benzyl-5,5-dimethyl-8-(1,2-dimethylheptyl)-10-hydroxy-1,2,3,4-tetrahydro-5H-[1]benzopyrano[4,3-c]pyridine (26685-47-2) → SP 1 (26685-57-4)

Guidance literature:

Multi-step reaction with 2 steps

1: H₂ / Pd-C / ethanol; acetic acid / 2223.7 Torr

2: Na₂CO₃ / ethanol / Heating

With hydrogen; sodium carbonate; palladium on activated charcoal; In ethanol; acetic acid;

DOI:10.1021/jm00226a001

Reference yield:

2-[1-benzyl-4-(1-hydroxy-1-methyl-ethyl)-1,2,5,6-tetrahydro-pyridin-3-yl]-5-(1,2-dimethyl-heptyl)-benzene-1,3-diol (271242-28-5) → SP 1 (26685-57-4)

Guidance literature:

Multi-step reaction with 2 steps

1.1: 53 percent / TsOH*H₂O / methoxybenzene / 60 °C

2.1: H₂ / Pd / acetic acid

2.2: ethanol

With hydrogen; toluene-4-sulfonic acid; palladium; In acetic acid; methoxybenzene; 1.1: cyclocondensation / 2.1: Hydrogenolysis / 2.2: Alkylation;

Reference yield:

5,5-dimethyl-8-(1,2-dimethylheptyl)-10-hydroxy-1,2,3,4-tetrahydro-5H-[1]benzopyrano[4,3-c]pyridine (26685-53-0) + propargyl bromide (106-96-7) → SP 1 (26685-57-4)

Guidance literature:

With sodium carbonate; In ethanol; Heating;

DOI:10.1021/jm00226a001

upstream raw materials:

5,5-dimethyl-8-(1,2-dimethylheptyl)-10-hydroxy-1,2,3,4-tetrahydro-5H-[1]benzopyrano[4,3-c]pyridine

propargyl bromide

2-benzyl-5,5-dimethyl-8-(1,2-dimethylheptyl)-10-hydroxy-1,2,3,4-tetrahydro-5H-[1]benzopyrano[4,3-c]pyridine

2-[1-benzyl-4-(1-hydroxy-1-methyl-ethyl)-1,2,5,6-tetrahydro-pyridin-3-yl]-5-(1,2-dimethyl-heptyl)-benzene-1,3-diol