1-{[(9H-Fluoren-9-ylmethoxy)carbonyl]oxy}-1H-benzotriazole

Basic Information

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CAS Number

82911-71-5

Molecular Formula

C21H15N3O3

Molecular Weight

357.37 g/mol

Chemical Classification

Basic Chemical Raw Materials Organic Chemicals Carboxylic Acids

Basic Chemical Raw Materials Organic Chemicals Ethers

Basic Chemical Raw Materials Organic Chemicals Heterocyclic Compounds

Pharmaceutical Chemicals Pharmaceutical Intermediates Heterocyclic Intermediates

Fine Chemicals Dyes and Pigments Organic Dyes

Fine Chemicals Surfactants Anionic Surfactants

Basic Physical Properties

Melting Point

178 °C (dec.)

Boiling Point

536.1℃ at 760 mmHg

SMILES

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O=C(On1nnc2c1cccc2)OCC1c2ccccc2c2c1cccc2

InChI

InChI=1S/C21H15N3O3/c25-21(27-24-20-12-6-5-11-19(20)22-23-24)26-13-18-16-9-3-1-7-14(16)15-8-2-4-10-17(15)18/h1-12,18H,13H2

InChIKey

KNSPZTVPSAKHBN-UHFFFAOYSA-N

LogP

3.809000000000003

Topological Polar Surface Area

66.24000000000001 Å²

Hydrogen Bond Donor/Acceptor

0 / 6

Complexity

523

Safety Information

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Hazard Statement

H315 Causes skin irritation
Skin corrosion/irritation

H319 Causes serious eye irritation
Serious eye damage/eye irritation

H335 May cause respiratory irritation
Specific target organ toxicity, single exposure; Respiratory tract irritation

Synonyms & References

English

(9H-Fluoren-9-yl)methyl 1H-benzo[d][1,2,3]triazol-1-yl carbonate
1-[(9H-Fluoren-9-ylmethoxy)carbonyloxy]benzotriazole
(9H-Fluoren-9-yl)methyl 1H-benzo-[d][1,2,3]triazol-1-yl carbonate
1H-Benzotriazol-1-yl 9-fluorenylmethyl carbonate
9-Fluorenylmethyl 1-benzotriazolyl carbonate
benzotriazol-1-yl 9H-fluoren-9-ylmethyl carbonate
Carbonic acid,1H-benzotriazol-1-yl 9H-fluoren-9-ylmethyl ester
Fmoc-OBt
Carbonic Acid 1-Benzotriazolyl 9-Fluorenylmethyl Ester
1-(Fmoc-oxy)benzotriazole
9-Fluorenylmethyl 1-Benzotriazolyl Carbonate

MDL Number

MFCD00074939

Customs Code

2933990090

FAQ

What are the physical and chemical properties of 1-{[(9H-Fluoren-9-ylmethoxy)carbonyl]oxy}-1H-benzotriazole (CAS: 82911-71-5)?

1-{[(9H-Fluoren-9-ylmethoxy)carbonyl]oxy}-1H-benzotriazole is a white crystalline solid with a molecular weight of approximately 519.46 g/mol. It is poorly soluble in water but soluble in organic solvents like dichloromethane and acetonitrile. The compound exhibits moderate reactivity, particularly in esterification and amide formation reactions.

How is 1-{[(9H-Fluoren-9-ylmethoxy)carbonyl]oxy}-1H-benzotriazole (CAS: 82911-71-5) typically synthesized?

1-{[(9H-Fluoren-9-ylmethoxy)carbonyl]oxy}-1H-benzotriazole is typically synthesized by protecting a benzotriazole with a fluorenylmethoxy carbonyl group. The synthesis involves the reaction of 1-benzotriazole with fluorenylmethanol in the presence of a coupling agent like N,N-diisopropylcarbodiimide (DIC) and 4-(dimethylamino)pyridine (DMAP). Good yield and selectivity are achieved under these conditions.

What industries use 1-{[(9H-Fluoren-9-ylmethoxy)carbonyl]oxy}-1H-benzotriazole (CAS: 82911-71-5)?

1-{[(9H-Fluoren-9-ylmethoxy)carbonyl]oxy}-1H-benzotriazole is widely used in the pharmaceutical industry for its esterification and amide formation capabilities. It also finds applications in the polymer industry for improving the properties of polymers, in sensor technology for its reactivity, and in semiconductor manufacturing for its use in chemical vapor deposition processes.

What precautions should be taken when handling 1-{[(9H-Fluoren-9-ylmethoxy)carbonyl]oxy}-1H-benzotriazole (CAS: 82911-71-5)?

When handling 1-{[(9H-Fluoren-9-ylmethoxy)carbonyl]oxy}-1H-benzotriazole, it is crucial to wear proper personal protective equipment (PPE), including gloves, goggles, and a lab coat. Work should be conducted in a well-ventilated area or a fume hood to avoid inhalation. Spills should be cleaned up using appropriate absorbents, and the area should be thoroughly washed down. Refer to the safety data sheet (SDS) for detailed information on proper handling and disposal.