C₁₃H₈⁽²⁾H₇NO₅

Base Information

• Chemical Name: C₁₃H₈⁽²⁾H₇NO₅
• CAS No.: 298704-28-6
• Molecular Formula: C₁₃H₁₅NO₅
• Molecular Weight: 272.21
• Mol file: 298704-28-6.mol

Synonyms:C₁₃H₈⁽²⁾H₇NO₅

Chemical Property of C₁₃H₈⁽²⁾H₇NO₅

Chemical Property:

Purity/Quality:

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

Useful:

Technology Process of C₁₃H₈⁽²⁾H₇NO₅

There total 5 articles about C₁₃H₈⁽²⁾H₇NO₅ 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:

Z-3-(4-acetoxy-2,3,5,6-2H4-phenyl)-3-2H-2-acetylamino acrylic acid (298704-26-4) → C13H8(2)H7NO5 (298704-28-6)

Guidance literature:

With deuterium; (R,R)-(-)-1,2-bis[(o-methoxy-phenyl)phosphino]ethane(1,5-cyclooctadiene)rhodium(I) tetrafluoroborate; In water-d2; at 20 ℃; for 16h; under 2534.03 Torr;

DOI:10.1002/1099-1344(200008)43:9<917::AID-JLCR377>3.0.CO;2-5

Reference yield:

2,3,4,5,6-pentadeuterio-1-methoxybenzene (50629-14-6) → C13H8(2)H7NO5 (298704-28-6)

Guidance literature:

Multi-step reaction with 4 steps

1.1: Cl₂P(O)OP(O)Cl₂ / 24 h / 105 °C

1.2: BI₃ / CH₂Cl₂ / 0.03 h

2.1: NaOAc / 5 h / 120 °C

3.1: 1.9 g / NaOAc / H₂O; acetone / 2.5 h / Heating

4.1: deuterium / [Rh(COD)(R,R-DIPAMP)]⁺BF₄^- / D₂O; various solvent(s) / 16 h / 20 °C / 2534.03 Torr

With pyrophosphoryl chloride; sodium acetate; deuterium; (R,R)-(-)-1,2-bis[(o-methoxy-phenyl)phosphino]ethane(1,5-cyclooctadiene)rhodium(I) tetrafluoroborate; In water; water-d2; acetone; 1.1: Formylation / 1.2: Substitution / 2.1: Acetylation / 3.1: Hydrolysis / 4.1: Catalytic hydrogenation;

DOI:10.1002/1099-1344(200008)43:9<917::AID-JLCR377>3.0.CO;2-5

Reference yield:

phenol-d6 (13127-88-3,80441-87-8) → C13H8(2)H7NO5 (298704-28-6)

Guidance literature:

Multi-step reaction with 5 steps

1.1: NaH / tetrahydrofuran / 0.17 h / 0 °C

1.2: 94 percent / tetrahydrofuran / 19 h / Heating

2.1: Cl₂P(O)OP(O)Cl₂ / 24 h / 105 °C

2.2: BI₃ / CH₂Cl₂ / 0.03 h

3.1: NaOAc / 5 h / 120 °C

4.1: 1.9 g / NaOAc / H₂O; acetone / 2.5 h / Heating

5.1: deuterium / [Rh(COD)(R,R-DIPAMP)]⁺BF₄^- / D₂O; various solvent(s) / 16 h / 20 °C / 2534.03 Torr

With pyrophosphoryl chloride; sodium acetate; sodium hydride; deuterium; (R,R)-(-)-1,2-bis[(o-methoxy-phenyl)phosphino]ethane(1,5-cyclooctadiene)rhodium(I) tetrafluoroborate; In tetrahydrofuran; water; water-d2; acetone; 1.1: deprotonation / 1.2: Methylation / 2.1: Formylation / 2.2: Substitution / 3.1: Acetylation / 4.1: Hydrolysis / 5.1: Catalytic hydrogenation;

DOI:10.1002/1099-1344(200008)43:9<917::AID-JLCR377>3.0.CO;2-5

upstream raw materials:

Z-3-(4-acetoxy-2,3,5,6-2H₄-phenyl)-3-2H-2-acetylamino acrylic acid

2,3,4,5,6-pentadeuterio-1-methoxybenzene

phenol-d6

4-hydroxy-[2,3,5,6,7-2H₅]-benzaldehyde