1,2,3,4-Tetrahydroisoquinoline-1,3-dione

Product Name: 1,2,3,4-Tetrahydroisoquinoline-1,3-dione
CAS No.: 4456-77-3
Chemical Name: 1,2,3,4-Tetrahydroisoquinoline-1,3-dione
Synonyms: FR 038470;NSC 409146;homophtalic-imide;ine-1,3(2H,4H)-dione;1,3-ISOQUINOLINEDIOL;Isoquinoline-1,3(2H,4H);4H-Isoquinoline-1,3-dione;2H,4H-1,3-Isoquinolinedione;1,3-[2H,4H]-Isoquinolinedione;2,4-dihydroisoquinoline-1,3-dione
CBNumber: CB7967269
Molecular Formula: C9H7NO2
Formula Weight: 161.16
MOL File: 4456-77-3.mol

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1,2,3,4-Tetrahydroisoquinoline-1,3-dione Property

Melting point:: 223 °C
Boiling point:: 377.1±35.0 °C(Predicted)
Density: 1.286±0.06 g/cm3(Predicted)
storage temp.: Sealed in dry,Room Temperature
pka: 10.25±0.20(Predicted)
Appearance: Off-white to yellow Solid

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Safety

HS Code: 2933499090

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Hazard and Precautionary Statements (GHS)

Symbol(GHS)

Hazard statements

H302Harmful if swallowed

H315Causes skin irritation

H319Causes serious eye irritation

H332Harmful if inhaled

H335May cause respiratory irritation

Precautionary statements

P233Keep container tightly closed.

P260Do not breathe dust/fume/gas/mist/vapours/spray.

P261Avoid breathing dust/fume/gas/mist/vapours/spray.

P264Wash hands thoroughly after handling.

P264Wash skin thouroughly after handling.

P270Do not eat, drink or smoke when using this product.

P271Use only outdoors or in a well-ventilated area.

P280Wear protective gloves/protective clothing/eye protection/face protection.

P301+P312IF SWALLOWED: call a POISON CENTER or doctor/physician IF you feel unwell.

P302+P352IF ON SKIN: wash with plenty of soap and water.

P304IF INHALED:

P304+P340IF INHALED: Remove victim to fresh air and Keep at rest in a position comfortable for breathing.

P305+P351+P338IF IN EYES: Rinse cautiously with water for several minutes. Remove contact lenses, if present and easy to do. Continuerinsing.

P312Call a POISON CENTER or doctor/physician if you feel unwell.

P321Specific treatment (see … on this label).

P330Rinse mouth.

P332+P313IF SKIN irritation occurs: Get medical advice/attention.

P337+P313IF eye irritation persists: Get medical advice/attention.

P340Remove victim to fresh air and keep at rest in a position comfortable for breathing.

P362Take off contaminated clothing and wash before reuse.

P403Store in a well-ventilated place.

P403+P233Store in a well-ventilated place. Keep container tightly closed.

P405Store locked up.

P501Dispose of contents/container to..…

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N-Bromosuccinimide Price

TRC

Product number: I918270
Product name: Isoquinoline-1,3(2H,4H)-dione
Packaging: 100mg
Price: $60
Updated: 2021/12/16

ChemScene

Product number: CS-W006004
Product name: Isoquinoline-1,3(2H,4H)-dione
Packaging: 1g
Price: $78
Updated: 2021/12/16

Ark Pharm

Product number: P000106040
Product name: Isoquinoline-1,3(2H,4H)-dione
Purity: 96%
Packaging: 1g
Price: $88
Updated: 2021/12/16

Matrix Scientific

Product number: 072422
Product name: 1,3[2H,4H]-Isoquinolinedione
Purity: 95+%
Packaging: 1g
Price: $136
Updated: 2021/12/16

ChemScene

Product number: CS-W006004
Product name: Isoquinoline-1,3(2H,4H)-dione
Packaging: 5g
Price: $245
Updated: 2021/12/16

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1,2,3,4-Tetrahydroisoquinoline-1,3-dione Chemical Properties,Usage,Production

Uses

Isoquinoline-1,3(2H,4H)-dione can be useful in the discovery and development of labdane-oxindole hybrids as small-molecule inhibitors against chikungunya virus infection in human HeLa cells.

Synthesis

89-51-0

4456-77-3

O-carboxyphenylacetic acid (20.0 g, 111 mmol) was mixed with finely ground urea (7.33 g, 122 mmol) and the reaction was heated at 175-185 °C for 2 hours. After completion of the reaction, the mixture was cooled and purified by recrystallization from methanol to give 1,3-[2H,4H]-isoquinolinedione (12.0 g, 67% yield) as a white solid with a melting point of 220-222 °C (literature value 3: 236-238 °C). The structure of the product was confirmed by 1H NMR and 13C NMR: 1H NMR ((CD3)2SO) δ 4.09 (3H, s, CH2), 7.44 (1H, d, J = 7.6 Hz, 5-H), 7.51 (1H, t, J = 7.6 Hz, 7-H), 7.70 (1H, td, J = 7.6, 1.2 Hz, 6-H). 8.07 (1H, dd, J = 7.8, 1.1 Hz, 8-H), 11.36 (1H, s, NH); 13C NMR ((CD3)2SO) (HSQC/HMBC) δ 35.92 (4-C), 124.95 (8a-C), 127.16 (7-C), 127.41 (8-C), 127.87 (5-C) , 133.47 (6-C), 136.66 (4a-C), 165.34 (1-C), 170.99 (3-C).

References

[1] Liebigs Annalen der Chemie, 1981, # 5, p. 811 - 818
[2] Synthetic Communications, 1998, vol. 28, # 17, p. 3195 - 3200
[3] Bioorganic and Medicinal Chemistry, 2015, vol. 23, # 17, p. 5891 - 5908
[4] Synthetic Communications, 1981, vol. 11, # 6, p. 447 - 454
[5] Patent: EP2441755, 2012, A1. Location in patent: Paragraph 0172

1,2,3,4-Tetrahydroisoquinoline-1,3-dione Preparation Products And Raw materials

Raw materials

Preparation Products

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1,2,3,4-Tetrahydroisoquinoline-1,3-dione Suppliers

China 79 Germany 2 India 2 Switzerland 1 Ukraine 1 United States 6 Global 91

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View Lastest Price from 1,2,3,4-Tetrahydroisoquinoline-1,3-dione manufacturers

Zhuozhou Wenxi import and Export Co., Ltd

Product: 1,2,3,4-Tetrahydroisoquinoline-1,3-dione 4456-77-3
Price: US $15.00-10.00/KG
Min. Order: 1KG
Purity: 99%+ HPLC
Supply Ability: Monthly supply of 1 ton
Release date: 2021-07-11

Zhuozhou Wenxi import and Export Co., Ltd

Product: 1,2,3,4-Tetrahydroisoquinoline-1,3-dione 4456-77-3
Price: US $15.00-10.00/KG
Min. Order: 1KG
Purity: 99%+ HPLC
Supply Ability: Monthly supply of 1 ton
Release date: 2021-07-09

4456-77-3, 1,2,3,4-Tetrahydroisoquinoline-1,3-dioneRelated Search:

3-isoquinolinecarboxaldehyde ISOQUINOLINE N-OXIDE Isoquinoline 1-ISOQUINOLINEMETHANOL 1-Isoquinolinecarbonitrile METHYL 4-ISOQUINOLINECARBOXYLATE 6-Isoquinolinyl-boronic acid Isoquinoline-4-carboxylic acid isoquinolin-7-yl-7-boronic acid isoquinolin-6-sulfonyl chloride 7-isoquinolinecarboxylic acid METHYL ISOQUINOLINE-7-CARBOXYLATE ISOQUINOLINE-5-CARBALDEHYDE ISOQUINOLINE-3-CARBOXYLIC ACID Isoquinoline-1-carboxylic acid 1,2,3,4-Tetrahydroisoquinoline-1,3-dione 2-METHYL-ISOQUINOLINE-1,3,4-TRIONE 2-(3-METHYL-4-(ISOPROPYL)PHENYL)-2,4-DIHYDROISOQUINOLINE-1,3-DIONE

1,2,3,4-Tetrahydroisoquinoline-1,3-dione

1,3-[2H,4H]-Isoquinolinedione

4H-Isoquinoline-1,3-dione

Isoquinoline-1,3(2H,4H)-dione, >=98%

2,4-dihydroisoquinoline-1,3-dione

FR 038470

NSC 409146

2H,4H-1,3-Isoquinolinedione

Isoquinoline-1,3(2H,4H)

homophtalic-imide

ine-1,3(2H,4H)-dione

1,3-ISOQUINOLINEDIOL

4456-77-3