(1,3-Dioxooctahydro-2H-isoindol-2-yl)acetate

Base Information

• Chemical Name: (1,3-Dioxooctahydro-2H-isoindol-2-yl)acetate
• CAS No.: 138220-90-3
• Molecular Formula: C10H12NO4-
• Molecular Weight: 211.21
• Hs Code.: 2925190090
• DSSTox Substance ID: DTXSID50930025
• Wikidata: Q82905209
• Mol file: 138220-90-3.mol

Synonyms:DTXSID50930025;(1,3-Dioxooctahydro-2H-isoindol-2-yl)acetate

Chemical Property of (1,3-Dioxooctahydro-2H-isoindol-2-yl)acetate

Chemical Property:

• Vapor Pressure: 2.82E-10mmHg at 25°C
• Melting Point: 89.0-90.0 °C(Solv: toluene (108-88-3))
• Boiling Point: 473.6°Cat760mmHg
• PKA: 3.75±0.10(Predicted)
• Flash Point: 240.2°C
• PSA: 74.68000
• Density: g/cm³
• LogP: 0.18410
• XLogP3: 1
• Hydrogen Bond Donor Count: 0
• Hydrogen Bond Acceptor Count: 4
• Rotatable Bond Count: 1
• Exact Mass: 210.07663286
• Heavy Atom Count: 15
• Complexity: 296

Purity/Quality:

98%min ^*data from raw suppliers

(1,3-Dioxo-octahydro-isoindol-2-yl)-acetic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

• Canonical SMILES: C1CCC2C(C1)C(=O)N(C2=O)CC(=O)[O-]
• Isomeric SMILES: C1CC[C@H]2[C@H](C1)C(=O)N(C2=O)CC(=O)[O-]

Technology Process of (1,3-Dioxooctahydro-2H-isoindol-2-yl)acetate

There total 2 articles about (1,3-Dioxooctahydro-2H-isoindol-2-yl)acetate 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: 63.0%

glycine (56-40-6,18875-39-3,25718-94-9) + 1,2-Cyclohexanedicarboxylic acid-anhydride (85-42-7) → 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetic acid (138220-90-3)

Guidance literature:

In water; at 180 ℃; Heating;

DOI:10.1016/j.ejmech.2011.07.043

Reference yield:

→ 2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetic acid (138220-90-3)

Guidance literature:

N-2-Hydroxyethyl-hexahydrophthalimid, HNO3, Kochen, 2h;

Reference yield:

2-(1,3-dioxo-3a,4,5,6,7,7a-hexahydroisoindol-2-yl)acetic acid (138220-90-3) + 2-(4-nitrophenyl)ethylamine monohydrochloride (29968-78-3) → N-[2-(4-aminophenyl)ethyl]-2-(1,3-dioxooctahydroisoindol-2-yl)acetamide

Guidance literature:

With iron; ammonium chloride; In ethanol; water; at 85 ℃; for 0.5h;

upstream raw materials:

glycine

1,2-Cyclohexanedicarboxylic acid-anhydride

Downstream raw materials:

2-[2-oxo-2-(4-phenylpiperazin-1-yl)ethyl]-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione

2-{2-[4-(3-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione

2-{2-[4-(4-chlorophenyl)piperazin-1-yl]-2-oxoethyl}-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione

2-{2-[4-(2,3-dichlorophenyl)piperazin-1-yl]-2-oxoethyl}-3a,4,5,6,7,7a-hexahydroisoindole-1,3-dione

Post a RFQ

Cas No.:

Product Name:

Quantity:

Please select Metric Ton KG G Pound L ML

Email:

Company name:

Valid Period:

Detailed Requirements:

• Sample
• MOQ
• GMP
• FDA
• Price
  FOB CIF CFR EXW
• Urgent purchase

Enter 15 to 2000 letters.Word count: 0 letters

Attach files(File Format: Jpeg, Jpg, Gif, Png, PDF, PPT, Zip, Rar,Word or Excel Maximum File Size: 3MB)

Remove

Submit

1

What can I do for you?
Get Best Price

Get Best Price for 138220-90-3 (1,3-DIOXO-OCTAHYDRO-ISOINDOL-2-YL)-ACETIC ACID

Send

Send

Metric Ton KG G Pound L ML

Send

Send