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1,2,3,9-Tetrahydro-9-methyl-4H-carbazol-4-one

1,2,3,9-Tetrahydro-9-methyl-4H-carbazol-4-one structure

CAS No:
27387-31-1
Formula:
C13H13NO
Chemical Name:
1,2,3,9-Tetrahydro-9-methyl-4H-carbazol-4-one
Synonyms:
4H-Carbazol-4-one,1,2,3,9-tetrahydro-9-methyl-;Carbazol-4(1H)-one,2,3-dihydro-9-methyl-;1,2,3,9-Tetrahydro-9-methyl-4H-carbazol-4-one;1,2,3,9-Tetrahydro-9-methyl-4H-carbazole-4-one;808754-65-6
Categories:
Analytical Chemistry > Analysis Reagents

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Description

1,2,3,4-Tetrahydro-9-methylcarbazol-4-one is Off-White Solid

1,2,3,9-Tetrahydro-9-methyl-4H-carbazol-4-one Basic Attributes

Molecular Weight：

199.25

Exact Mass：

199.25

EC Number：

1308068-626-2

UNII：

267IW42T7Z

DSSTox ID：

DTXSID30181811

HScode：

2933990090

Characteristics

PSA：

XLogP3：

2.1

Density：

1.2±0.1 g/cm3

Melting Point：

195 °C

Boiling Point：

383.5°C at 760 mmHg

Flash Point：

185.7±19.3 °C

Refractive Index：

1.647

Vapor Pressure：

4.39E-06mmHg at 25°C

Safety Information

Transport codes：

NONH for all modes of transport

hazard class code：

36/37/38-52/53-25

safety instructions：

22-24/25-61-45

Marks：

Xi,T

Precautionary statement(s)：

P301 + P312 + P330

Hazard Statements：

H302-H412

GHS Classification：

|Danger|H301 (95.12%): Toxic if swallowed [Danger Acute toxicity, oral]|P264, P270, P273, P301+P310, P321, P330, P405, and P501|Aggregated GHS information provided by 42 companies from 4 notifications to the ECHA C&L Inventory. Each notification may be associated with multiple companies.

1,2,3,9-Tetrahydro-9-methyl-4H-carbazol-4-one Use and Manufacturing

Methods of Manufacturing

A mixture of 2, 3-Dihydro-1H-carbazol-4(9H)-one (1.0 mmol)and DMF-DMA (10 mmol) in DMF (5.0 mL) was refluxed for 1.0 h.The reaction mixture was cooled and extracted with ethyl acetate(2 25 mL). The organic layer was separated and washed with brine solution. The organic layer was dried over anhydrous Na2SO4.The solvent was removed under reduced pressure and the solidobtained was recrystallized from ethanol.White needles, yield 71percent, m.p. 188–90 C. IR (cm1) 1695(CO), 1H NMR (400 MHz, CDCl3) d 2.24–2.27 (t, 2H, CH2, J = 6.28 Hz), 2.56–2.59 (t, 2H, CH2, J = 6.0 Hz), 2.91–2.94 (t, 2H, CH2, J = 6.21 Hz), 3.70 (s, 3H, NCH3), 7.27–7.30 (m, 3H, Ph), 8.24–8.26 (m, 1H, Ph). Anal. Calc. for C13H13NO: C, 78.36; H, 6.58, N, 7.03percent. Found: C, 78.29; H, 6.49; N, 6.92percent.

Uses

1,2,3,9-Tetrahydro-9-(methyl-d3)-4H-carbazol-4-one is used in the preparation of 5-HT3 modulators useful in the treatment and prevention of 5-HT3 receptor-mediated diseases. 1,2,3,9-Tetrahydro-9-methyl-4H-carbazol-4-one is an impurity of Ondansetron (O655000).

Computed Properties

Molecular Weight:199.25
XLogP3:2.1
Hydrogen Bond Acceptor Count:1
Exact Mass:199.099714038
Monoisotopic Mass:199.099714038
Topological Polar Surface Area:22
Heavy Atom Count:15
Complexity:276
Covalently-Bonded Unit Count:1
Compound Is Canonicalized:Yes

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1,2,3,4-Tetrahydro-9-methylcarbazol-4-one factory price

CAS No.: 27387-31-1

Grade: Industrial Grade

Content: 95%

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HANGZHOU LEAP CHEM CO., LTD. Contact Supplier

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1,2,3,4-Tetrahydro-9-methylcarbazol-4-one

CAS No.: 27387-31-1

Content: 99.00%

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Guide of 1,2,3,9-Tetrahydro-9-methyl-4H-carbazol-4-one

Description
Basic Attributes
Characteristics
Safety Information
Use and Manufacturing
Computed Properties
Recommended Suppliers
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1,2,3,9-Tetrahydro-9-methyl-4H-carbazol-4-one

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