17-Butyl-4,15,19,30-tetrathia-2-azaheptacyclo[16.12.0.03,16.05,14.07,12.020,29.022,27]triaconta-1,3(16),5,7,9,11,13,17,20,22,24,26,28-tridecaene

Base Information

• Chemical Name: 17-Butyl-4,15,19,30-tetrathia-2-azaheptacyclo[16.12.0.03,16.05,14.07,12.020,29.022,27]triaconta-1,3(16),5,7,9,11,13,17,20,22,24,26,28-tridecaene
• CAS No.: 7226-55-3
• Molecular Formula: C₁₃H₂₀O₈
• Molecular Weight: 304.297
• DSSTox Substance ID: DTXSID90993018
• Nikkaji Number: J1.823.725C
• Wikidata: Q82983545
• Mol file: 7226-55-3.mol

Synonyms:7226-55-3;DTXSID90993018;16-Butylbisnaphtho[2',3':5,6][1,4]dithiino[2,3-b:2',3'-e]pyridine

Chemical Property of 17-Butyl-4,15,19,30-tetrathia-2-azaheptacyclo[16.12.0.03,16.05,14.07,12.020,29.022,27]triaconta-1,3(16),5,7,9,11,13,17,20,22,24,26,28-tridecaene

Chemical Property:

• XLogP3: 10.3
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 5
• Rotatable Bond Count: 3
• Exact Mass: 511.05568437
• Heavy Atom Count: 34
• Complexity: 664

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

• Canonical SMILES: CCCCC1=C2C(=NC3=C1SC4=CC5=CC=CC=C5C=C4S3)SC6=CC7=CC=CC=C7C=C6S2

Technology Process of 17-Butyl-4,15,19,30-tetrathia-2-azaheptacyclo[16.12.0.03,16.05,14.07,12.020,29.022,27]triaconta-1,3(16),5,7,9,11,13,17,20,22,24,26,28-tridecaene

There total 23 articles about 17-Butyl-4,15,19,30-tetrathia-2-azaheptacyclo[16.12.0.03,16.05,14.07,12.020,29.022,27]triaconta-1,3(16),5,7,9,11,13,17,20,22,24,26,28-tridecaene 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-pentenal (1576-86-9,1576-87-0,764-39-6) → Tetraacetyl-5-desoxy-DL-lyxit (7226-55-3,7241-20-5,7260-90-4,65877-02-3,90129-06-9,90129-07-0,96554-72-2,96554-73-3,108866-74-6,108942-19-4,110508-70-8)

Guidance literature:

Multi-step reaction with 4 steps

1: copper(II) chloride monohydrate; water; (5S)-(?)-2,2,3-trimethyl-5-benzyl-4-imidazolidinone monohydrochloride / acetone / Inert atmosphere

2: sodium tetrahydroborate / ethanol / 0.17 h / Inert atmosphere

3: water; zinc; acetic acid / tetrahydrofuran / 1 h / 70 °C / Inert atmosphere

4: pyridine; dmap / 16 h / Inert atmosphere

With pyridine; dmap; sodium tetrahydroborate; copper(II) chloride monohydrate; water; acetic acid; zinc; (5S)-(?)-2,2,3-trimethyl-5-benzyl-4-imidazolidinone monohydrochloride; In tetrahydrofuran; ethanol; acetone;

DOI:10.1021/acs.orglett.5b03050

Reference yield:

C23H46N2O4 → Tetraacetyl-5-desoxy-DL-lyxit (7226-55-3,7241-20-5,7260-90-4,65877-02-3,90129-06-9,90129-07-0,96554-72-2,96554-73-3,108866-74-6,108942-19-4,110508-70-8)

Guidance literature:

Multi-step reaction with 2 steps

1: water; zinc; acetic acid / tetrahydrofuran / 1 h / 70 °C / Inert atmosphere

2: pyridine; dmap / 16 h / Inert atmosphere

With pyridine; dmap; water; acetic acid; zinc; In tetrahydrofuran;

DOI:10.1021/acs.orglett.5b03050

Reference yield:

C14H25NO2 → Tetraacetyl-5-desoxy-DL-lyxit (7226-55-3,7241-20-5,7260-90-4,65877-02-3,90129-06-9,90129-07-0,96554-72-2,96554-73-3,108866-74-6,108942-19-4,110508-70-8)

Guidance literature:

Multi-step reaction with 4 steps

1: copper(II) chloride monohydrate; water; (5S)-(?)-2,2,3-trimethyl-5-benzyl-4-imidazolidinone monohydrochloride / acetone / Inert atmosphere

2: sodium tetrahydroborate / ethanol / 0.17 h / Inert atmosphere

3: water; zinc; acetic acid / tetrahydrofuran / 1 h / 70 °C / Inert atmosphere

4: pyridine; dmap / 16 h / Inert atmosphere

With pyridine; dmap; sodium tetrahydroborate; copper(II) chloride monohydrate; water; acetic acid; zinc; (5S)-(?)-2,2,3-trimethyl-5-benzyl-4-imidazolidinone monohydrochloride; In tetrahydrofuran; ethanol; acetone;

DOI:10.1021/acs.orglett.5b03050

upstream raw materials:

acetic anhydride

5-deoxy-D-arabinitol

1-deoxy-D-xylulose

D-lyxose