Myo-inositol 1,3,4,6-tetrakisphosphate

Base Information

• Chemical Name: Myo-inositol 1,3,4,6-tetrakisphosphate
• CAS No.: 110298-84-5
• Molecular Formula: C₆H₁₆O₁₈P₄
• Molecular Weight: 500.077
• DSSTox Substance ID: DTXSID901317184
• Nikkaji Number: J488.540F,J743.810I
• Wikidata: Q27095123
• Metabolomics Workbench ID: 50399
• Mol file: 110298-84-5.mol

Synonyms:chiro-inositol 1,3,4,6-tetrakisphosphate;inositol-1,3,4,6-tetrakisphosphate;inositol-1,3,4,6-tetraphosphate;Ins-1,3,4,6-P4;myo-inositol 1,3,4,6-tetrakisphosphate;myo-inositol-1,3,4,6-tetrakisphosphate;myo-ITP

Chemical Property of Myo-inositol 1,3,4,6-tetrakisphosphate

Chemical Property:

• Vapor Pressure: 0mmHg at 25°C
• Boiling Point: 1015.6°Cat760mmHg
• Flash Point: 568°C
• PSA: 346.74000
• Density: 2.32g/cm³
• LogP: -3.36660
• XLogP3: -8.1
• Hydrogen Bond Donor Count: 10
• Hydrogen Bond Acceptor Count: 18
• Rotatable Bond Count: 8
• Exact Mass: 499.92871165
• Heavy Atom Count: 28
• Complexity: 604

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1(C(C(C(C(C1OP(=O)(O)O)OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O)O
• Isomeric SMILES: [C@H]1([C@H](C([C@H]([C@@H](C1O)OP(=O)(O)O)OP(=O)(O)O)O)OP(=O)(O)O)OP(=O)(O)O

Technology Process of Myo-inositol 1,3,4,6-tetrakisphosphate

There total 9 articles about Myo-inositol 1,3,4,6-tetrakisphosphate 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: 80.0%

DL-3,6-di-O-benzoyl-myo-inositol 1,2,4,5-tetrakisphosphate → (+/-)-myo-inositol 1,2,4,5-tetrakisphosphate (110298-84-5,114418-91-6,117142-45-7,118354-65-7,126452-75-3,129783-86-4)

Guidance literature:

With sodium hydroxide; at 60 ℃; for 1h;

DOI:10.1039/a608337d

Reference yield:

(5S,6S)-5,6-Bis-(2-methoxy-ethoxymethoxy)-cyclohex-2-ene-1,4-dione (130659-82-4) → (+/-)-myo-inositol 1,2,4,5-tetrakisphosphate (110298-84-5,114418-91-6,117142-45-7,118354-65-7,126452-75-3,129783-86-4)

Guidance literature:

Multi-step reaction with 6 steps

1: NaBH₄, CeCl₃

2: 95 percent / NaH

3: 96 percent / OsO₄, N-methylmorpholine-N-oxide

4: 6 M HCl / tetrahydrofuran / 20 °C

5: NaH

6: H₂ / Pd/C

With hydrogenchloride; sodium tetrahydroborate; osmium(VIII) oxide; cerium(III) chloride; hydrogen; sodium hydride; 4-methylmorpholine N-oxide; palladium on activated charcoal; In tetrahydrofuran;

DOI:10.1016/S0040-4039(00)97419-7

Reference yield:

(1R,2S,3S,4R,5R,6S)-3,6-Bis-benzyloxy-4,5-bis-(2-methoxy-ethoxymethoxy)-cyclohexane-1,2-diol (129662-36-8,130792-09-5) → (+/-)-myo-inositol 1,2,4,5-tetrakisphosphate (110298-84-5,114418-91-6,117142-45-7,118354-65-7,126452-75-3,129783-86-4)

Guidance literature:

Multi-step reaction with 3 steps

1: 6 M HCl / tetrahydrofuran / 20 °C

2: NaH

3: H₂ / Pd/C

With hydrogenchloride; hydrogen; sodium hydride; palladium on activated charcoal; In tetrahydrofuran;

DOI:10.1016/S0040-4039(00)97419-7

upstream raw materials:

octabenzyl (±)-2,3,5,6-(1,4-di-O-benzyl-myo-inosityl)tetrakisphosphate

(±)-3,6-di-O-benzoyl-1,2:4,5-di-O-isopropylidene-myo-inositol

(+/-)-1,4-di-O-benzyl-myo-inositol

(5S,6S)-5,6-Bis-(2-methoxy-ethoxymethoxy)-cyclohex-2-ene-1,4-dione