Thcad

Base Information

• Chemical Name: Thcad
• CAS No.: 117604-19-0
• Molecular Formula: C₁₃H₂₅NO₉
• Molecular Weight: 339.343
• DSSTox Substance ID: DTXSID60922471
• Mol file: 117604-19-0.mol

Synonyms:((1,2,4-3,5)-2,3,4-trihydroxy-5-hydroxymethyl-1-cyclohexyl)2-amino-2-deoxy-alpha-glucopyranoside;((1,2,4-3,5)-2,3,4-trihydroxy-5-hydroxymethyl-1-cyclohexyl)2-amino-2-deoxy-alpha-glucopyranoside, (1S)-isomer;THCAD

Chemical Property of Thcad

Chemical Property:

• Vapor Pressure: 1.22E-17mmHg at 25°C
• Boiling Point: 614°Cat760mmHg
• Flash Point: 325.1°C
• PSA: 186.09000
• Density: 1.61g/cm³
• LogP: -4.06690
• XLogP3: -3.8
• Hydrogen Bond Donor Count: 8
• Hydrogen Bond Acceptor Count: 10
• Rotatable Bond Count: 4
• Exact Mass: 339.15293138
• Heavy Atom Count: 23
• Complexity: 387

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1C(C(C(C(C1OC2C(C(C(C(O2)CO)O)O)N)O)O)O)CO

Technology Process of Thcad

There total 29 articles about Thcad 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: 96.0%

<(1R)-(1,2,4/3,5)-2,3,4-trihydroxy-5-hydroxymethyl-1-cyclohexyl> 2-acetamido-2-deoxy-β-D-glucopyranoside hepta-acetate (116143-68-1,116183-99-4,116258-20-9,116258-21-0,117604-15-6,117604-16-7,117604-17-8,117604-18-9) → <(1R)-(1,2,4/3,5)-2,3,4-trihydroxy-5-hydroxymethyl-1-cyclohexyl> 2-amino-2-deoxy-β-D-glucopyranoside (116143-69-2,116184-00-0,116184-01-1,116261-74-6,116558-81-7,117604-19-0,117604-20-3,117858-17-0)

Guidance literature:

With hydrazine hydrate; at 70 ℃; for 0.5h;

DOI:10.1016/0008-6215(88)80143-5

Reference yield: 90.0%

<(1S)-(1,4/2,3,5)-2,3,4-trihydroxy-5-hydroxymethyl-1-cyclohexyl> 2-acetamido-2-deoxy-α-D-glucopyranoside hepta-acetate (116143-68-1,116183-99-4,116258-20-9,116258-21-0,117604-15-6,117604-16-7,117604-17-8,117604-18-9) → <(1S)-(1,4/2,3,5)-2,3,4-trihydroxy-5-hydroxymethyl-1-cyclohexyl> 2-amino-2-deoxy-α-D-glucopyranoside (116143-69-2,116184-00-0,116184-01-1,116261-74-6,116558-81-7,117604-19-0,117604-20-3,117858-17-0)

Guidance literature:

With hydrazine hydrate; In water; at 70 ℃; for 0.5h;

DOI:10.1016/0008-6215(87)85010-3

Reference yield: 82.0%

<(1R)-(1,4/2,3,5)-2,3,4-trihydroxy-5-hydroxymethyl-1-cyclohexyl> 2-acetamido-2-deoxy-β-D-glucopyranoside hepta-acetate (116143-68-1,116183-99-4,116258-20-9,116258-21-0,117604-15-6,117604-16-7,117604-17-8,117604-18-9) → <(1R)-(1,4/2,3,5)-2,3,4-trihydroxy-5-hydroxymethyl-1-cyclohexyl> 2-amino-2-deoxy-β-D-glucopyranoside (116143-69-2,116184-00-0,116184-01-1,116261-74-6,116558-81-7,117604-19-0,117604-20-3,117858-17-0)

Guidance literature:

With hydrazine hydrate; In water; at 70 ℃; for 0.5h;

DOI:10.1016/0008-6215(87)85010-3

upstream raw materials:

<(1R)-(1,4/2,3,5)-2,3,4-trihydroxy-5-hydroxymethyl-1-cyclohexyl> 2-acetamido-2-deoxy-β-D-glucopyranoside hepta-acetate

<(1R)-(1,4/2,3,5)-2,3,4-trihydroxy-5-hydroxymethyl-1-cyclohexyl> 2-deoxy-2-(2,4-dinitrophenylamino)-β-D-glucopyranoside hepta-acetate

<(1R)-(1,4/2,3,5)-2,3,4-trihydroxy-5-hydroxymethyl-1-cyclohexyl> 2-acetamido-2-deoxy-α-D-glucopyranoside hepta-acetate

<(1R)-(1,4/2,3,5)-2,3,4-trihydroxy-5-hydroxymethyl-1-cyclohexyl> 2-deoxy-2-(2,4-dinitrophenylamino)-α-D-glucopyranoside hepta-acetate

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