methyl 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetate

Modify Date: 2024-01-04 19:21:32

methyl 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetate Structure
methyl 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetate structure
 Common Name methyl 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetate
CAS Number 1601-18-9 Molecular Weight 371.81400
Density 1.32g/cm3 Boiling Point 499.4ºC at 760mmHg
Molecular Formula C20H18ClNO4 Melting Point N/A
MSDS N/A Flash Point 255.8ºC

 Names

Name methyl 2-[1-(4-chlorobenzoyl)-5-methoxy-2-methylindol-3-yl]acetate
Synonym More Synonyms

 Chemical & Physical Properties

Density 1.32g/cm3
Boiling Point 499.4ºC at 760mmHg
Molecular Formula C20H18ClNO4
Molecular Weight 371.81400
Flash Point 255.8ºC
Exact Mass 371.09200
PSA 57.53000
LogP 4.01570
Vapour Pressure 9.13E-09mmHg at 25°C
Index of Refraction 1.592
Storage condition 2-8°C

 Toxicological Information

CHEMICAL IDENTIFICATION

RTECS NUMBER :
NL3522150
CHEMICAL NAME :
Indole-3-acetic acid, 1-(p-chlorobenzoyl)-5-methoxy-2-methyl-, methyl ester
CAS REGISTRY NUMBER :
1601-18-9
BEILSTEIN REFERENCE NO. :
0496619
LAST UPDATED :
199612
DATA ITEMS CITED :
1
MOLECULAR FORMULA :
C20-H18-Cl-N-O4
MOLECULAR WEIGHT :
371.84
WISWESSER LINE NOTATION :
T56 BNJ BVR DG& C1 D1VO1 GO1

HEALTH HAZARD DATA

ACUTE TOXICITY DATA

TYPE OF TEST :
LDLo - Lowest published lethal dose
ROUTE OF EXPOSURE :
Oral
SPECIES OBSERVED :
Rodent - rat
DOSE/DURATION :
40 mg/kg
TOXIC EFFECTS :
Details of toxic effects not reported other than lethal dose value
REFERENCE :
BCFAAI Bollettino Chimico Farmaceutico. (Societa Editoriale Farmaceutica, Via Ausonio 12, 20123 Milan, Italy) V.33- 1894- Volume(issue)/page/year: 114,309,1975

 Safety Information

Hazard Codes Xi
HS Code 2933990090

 Synthetic Route

Methanol structure

Methanol

CAS#:67-56-1

Indometacin structure

Indometacin

CAS#:53-86-1

~85%

methyl 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetate Structure

methyl 1-(4-chl...

CAS#:1601-18-9

Literature: Scholz, Matthias; Blobaum, Anna L.; Marnett, Lawrence J.; Hey-Hawkins, Evamarie Bioorganic and Medicinal Chemistry, 2012 , vol. 20, # 15 p. 4830 - 4837
Indometacin structure

Indometacin

CAS#:53-86-1

2,2-Dimethoxypropane structure

2,2-Dimethoxypropane

CAS#:77-76-9

~87%

methyl 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetate Structure

methyl 1-(4-chl...

CAS#:1601-18-9

Literature: Fronza; Mele; Redenti; Ventura Journal of Organic Chemistry, 1996 , vol. 61, # 3 p. 909 - 914
5-Methoxy-2-methyl-1H-indole structure

5-Methoxy-2-met...

CAS#:1076-74-0

~%

methyl 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetate Structure

methyl 1-(4-chl...

CAS#:1601-18-9

Literature: Bioorganic and Medicinal Chemistry Letters, , vol. 6, # 19 p. 2263 - 2268
4-Chlorobenzoyl chloride structure

4-Chlorobenzoyl...

CAS#:122-01-0

Methyl 5-Methoxy-2-methylindole-3-acetate structure

Methyl 5-Methox...

CAS#:7588-36-5

~%

methyl 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetate Structure

methyl 1-(4-chl...

CAS#:1601-18-9

Literature: Bioorganic and Medicinal Chemistry Letters, , vol. 6, # 19 p. 2263 - 2268
diazomethane structure

diazomethane

CAS#:186581-53-3

Indometacin structure

Indometacin

CAS#:53-86-1

~%

methyl 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetate Structure

methyl 1-(4-chl...

CAS#:1601-18-9

Literature: Journal of Organometallic Chemistry, , vol. 524, # 1-2 p. 87 - 93

 Customs

HS Code 2933990090
Summary 2933990090. heterocyclic compounds with nitrogen hetero-atom(s) only. VAT:17.0%. Tax rebate rate:13.0%. . MFN tariff:6.5%. General tariff:20.0%

 Synonyms

Indomethacin derivative,5
EINECS 216-494-8
indomethacin methyl ester
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Chemsrc provides CAS#:1601-18-9 MSDS, density, melting point, boiling point, structure, etc. Its name is methyl 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetate>> amp version: methyl 1-(4-chlorobenzoyl)-5-methoxy-2-methyl-1H-indole-3-acetate

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