(1,1-DIOXO-1H-1LAMBDA*6*-BENZO[D]ISOTHIAZOL-3-YLAMINO)-ACETIC ACID

Base Information

• Chemical Name: (1,1-DIOXO-1H-1LAMBDA*6*-BENZO[D]ISOTHIAZOL-3-YLAMINO)-ACETIC ACID
• CAS No.: 71054-77-8
• Molecular Formula: C9H7N2O4S-
• Molecular Weight: 240.24
• Hs Code.: 2934999090
• Mol file: 71054-77-8.mol

Synonyms:tert.-Butylazo-isobutyronitril;2-tert-Butylazo-2-cyano-propan;Luazo 79;TBA 79;2-tert-Butylazoisobutyronitril;

Chemical Property of (1,1-DIOXO-1H-1LAMBDA*6*-BENZO[D]ISOTHIAZOL-3-YLAMINO)-ACETIC ACID

Chemical Property:

• Vapor Pressure: 1.84E-11mmHg at 25°C
• Melting Point: 255-257 °C(Solv: methanol (67-56-1); water (7732-18-5))
• Boiling Point: 515.7°C at 760 mmHg
• PKA: 3.43±0.10(Predicted)
• Flash Point: 265.7°C
• PSA: 104.21000
• Density: 1.65±0.1 g/cm3(Predicted)
• LogP: 0.71700

Purity/Quality:

98%min ^*data from raw suppliers

(1,1-Dioxo-1H-1lambda*6*-benzo[d]isothiazol-3-ylamino)-acetic acid ^*data from reagent suppliers

Safty Information:

• Pictogram(s):  
• Hazard Codes: 

MSDS Files:

SDS file from LookChem

Useful:

Technology Process of (1,1-DIOXO-1H-1LAMBDA*6*-BENZO[D]ISOTHIAZOL-3-YLAMINO)-ACETIC ACID

There total 6 articles about (1,1-DIOXO-1H-1LAMBDA*6*-BENZO[D]ISOTHIAZOL-3-YLAMINO)-ACETIC ACID 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: 40.0%

methyl (1,1-dioxobenzo[d]isothiazol-3-ylamino)acetate (869651-44-5) → 1,1-dioxobenzo[d]isothiazol-3-ylaminoacetic acid (71054-77-8)

Guidance literature:

With sodium hydroxide; In acetone; for 6h; cooling;

Reference yield:

2-[(1,1-dioxo-1,2-benzisothiazol-3-yl)amino]acetic acid, ethyl ester (71054-76-7) → 1,1-dioxobenzo[d]isothiazol-3-ylaminoacetic acid (71054-77-8)

Guidance literature:

In hydrogenchloride;

Reference yield:

saccharin (81-07-2) → 1,1-dioxobenzo[d]isothiazol-3-ylaminoacetic acid (71054-77-8)

Guidance literature:

Multi-step reaction with 3 steps

1: 76 percent / SOCl₂ / dioxane; dimethylformamide / Heating

2: 34 percent / Et₃N / dioxane / Heating

3: 40 percent / aq. NaOH / acetone / 6 h / cooling

With sodium hydroxide; thionyl chloride; triethylamine; In 1,4-dioxane; N,N-dimethyl-formamide; acetone;

upstream raw materials:

methyl (1,1-dioxobenzo[d]isothiazol-3-ylamino)acetate

saccharin

3-chloro-1,2-benzisothiazole 1,1-dioxide

2-[(1,1-dioxo-1,2-benzisothiazol-3-yl)amino]acetic acid, ethyl ester

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