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85-40-5

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85-40-5 Usage

Chemical Properties

white solid

Uses

1,2,3,6-Tetrahydrophthalimide, is shown to be urinary metabolites of the fungicide Captan (C175725) in rat and humans.

Flammability and Explosibility

Nonflammable

Check Digit Verification of cas no

The CAS Registry Mumber 85-40-5 includes 5 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 2 digits, 8 and 5 respectively; the second part has 2 digits, 4 and 0 respectively.
Calculate Digit Verification of CAS Registry Number 85-40:
(4*8)+(3*5)+(2*4)+(1*0)=55
55 % 10 = 5
So 85-40-5 is a valid CAS Registry Number.
InChI:InChI=1/C8H9NO2/c10-7-5-3-1-2-4-6(5)8(11)9-7/h1-2,5-6H,3-4H2,(H,9,10,11)/t5-,6+

85-40-5SDS

SAFETY DATA SHEETS

According to Globally Harmonized System of Classification and Labelling of Chemicals (GHS) - Sixth revised edition

Version: 1.0

Creation Date: Aug 18, 2017

Revision Date: Aug 18, 2017

1.Identification

1.1 GHS Product identifier

Product name Tetrahydrophthalimide

1.2 Other means of identification

Product number -
Other names 3a,4,7,7a-tetrahydro-isoindole-3-dione

1.3 Recommended use of the chemical and restrictions on use

Identified uses For industry use only.
Uses advised against no data available

1.4 Supplier's details

1.5 Emergency phone number

Emergency phone number -
Service hours Monday to Friday, 9am-5pm (Standard time zone: UTC/GMT +8 hours).

More Details:85-40-5 SDS

85-40-5Synthetic route

4-cyclohexene 1-carboxylic acid 2-carboxamide
2028-12-8

4-cyclohexene 1-carboxylic acid 2-carboxamide

1,2,3,6-tertahydrophthalimide
85-40-5

1,2,3,6-tertahydrophthalimide

Conditions
ConditionsYield
In 1,3,5-trimethyl-benzene at 170℃; for 2.5h; Temperature; Solvent; Large scale;95%
1,2,3,6-Tetrahydrophthalic anhydride
85-43-8

1,2,3,6-Tetrahydrophthalic anhydride

1,2,3,6-tertahydrophthalimide
85-40-5

1,2,3,6-tertahydrophthalimide

Conditions
ConditionsYield
With choline chloride; urea at 140℃; for 1h; Green chemistry;81%
With complex<3THF*Mg2Cl2O*TiNCO>6 In pyridine Heating; Yield given;
anhydride or dicarboxylic acid

anhydride or dicarboxylic acid

1,2,3,6-tertahydrophthalimide
85-40-5

1,2,3,6-tertahydrophthalimide

Conditions
ConditionsYield
With ammonia at 180℃;74%
N-Hydroxymethyl-cis-4-cyclohexene-1,2-dicarboximide
42027-93-0

N-Hydroxymethyl-cis-4-cyclohexene-1,2-dicarboximide

1,2,3,6-tertahydrophthalimide
85-40-5

1,2,3,6-tertahydrophthalimide

Conditions
ConditionsYield
at 100℃; Substitution; Thermolysis;
1,2,3,6-tertahydrophthalimide
85-40-5

1,2,3,6-tertahydrophthalimide

1,10-bis(methoxymethyl)-1,10-diaza-18-crown-6
83809-94-3

1,10-bis(methoxymethyl)-1,10-diaza-18-crown-6

C30H44N4O8
91043-68-4

C30H44N4O8

Conditions
ConditionsYield
In benzene reflux; 20 deg C, 2 h;99%
1,2,3,6-tertahydrophthalimide
85-40-5

1,2,3,6-tertahydrophthalimide

chloral
75-87-6

chloral

N-(1-Hydroxy-2,2,2-trichloroethyl)-cis-4-cyclohexene-1,2-dicarboximide

N-(1-Hydroxy-2,2,2-trichloroethyl)-cis-4-cyclohexene-1,2-dicarboximide

Conditions
ConditionsYield
In ethanol for 2.5h; Addition; Heating;99%
1-bromo-butane
109-65-9

1-bromo-butane

1,2,3,6-tertahydrophthalimide
85-40-5

1,2,3,6-tertahydrophthalimide

2-butyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
2021-19-4

2-butyl-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione

Conditions
ConditionsYield
With 18-crown-6 ether; potassium carbonate In acetone for 24h; Ambient temperature;97%
1,2,3,6-tertahydrophthalimide
85-40-5

1,2,3,6-tertahydrophthalimide

octahydro-1H-isoindol-1-one
2555-11-5

octahydro-1H-isoindol-1-one

Conditions
ConditionsYield
With [Ru4H6(p-cumene)4]Cl2; hydrogen In water at 90℃; under 45003.6 Torr; for 22h;97%
1,2,3,6-tertahydrophthalimide
85-40-5

1,2,3,6-tertahydrophthalimide

1-bromo-5-chloropentane
54512-75-3

1-bromo-5-chloropentane

2-(5-chloropentyl)-3a,4,7,7a-tetrahydro-isoindole-1,3-dione
929224-25-9

2-(5-chloropentyl)-3a,4,7,7a-tetrahydro-isoindole-1,3-dione

Conditions
ConditionsYield
With potassium carbonate In acetone at 20℃; for 60h;92%
1,2,3,6-tertahydrophthalimide
85-40-5

1,2,3,6-tertahydrophthalimide

(Z)-3-Hexen-1-ol
928-96-1

(Z)-3-Hexen-1-ol

((Z)-2-Hex-3-enyl)-3a,4,7,7a-tetrahydro-isoindole-1,3-dione
82478-58-8

((Z)-2-Hex-3-enyl)-3a,4,7,7a-tetrahydro-isoindole-1,3-dione

Conditions
ConditionsYield
With dimethyl azodicarboxylate; triphenylphosphine In tetrahydrofuran Ambient temperature; overnight;90%
1,2,3,6-tertahydrophthalimide
85-40-5

1,2,3,6-tertahydrophthalimide

acrylic acid n-butyl ester
141-32-2

acrylic acid n-butyl ester

butyl 3-(3a,4,7,7a-tetrahydro-1,3-dioxo-1H-isoindol-2(3H)-yl)propanoate
1252935-87-7

butyl 3-(3a,4,7,7a-tetrahydro-1,3-dioxo-1H-isoindol-2(3H)-yl)propanoate

Conditions
ConditionsYield
With 1,4-diaza-bicyclo[2.2.2]octane; tetrabutylammomium bromide at 100℃; for 1.5h; aza-Michael addition; Neat (no solvent);90%
4-chlorobutyl bromide
6940-78-9

4-chlorobutyl bromide

1,2,3,6-tertahydrophthalimide
85-40-5

1,2,3,6-tertahydrophthalimide

2-(4-chlorobutyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione

2-(4-chlorobutyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione

Conditions
ConditionsYield
With potassium carbonate In N,N-dimethyl-formamide at 0 - 20℃;87%
1,2,3,6-tertahydrophthalimide
85-40-5

1,2,3,6-tertahydrophthalimide

diethyl Fumarate
623-91-6

diethyl Fumarate

diethyl 2-(3a,4,7,7a-tetrahydro-1,3-dioxo-1H-isoindol-2(3H)-yl)succinate
1252935-79-7

diethyl 2-(3a,4,7,7a-tetrahydro-1,3-dioxo-1H-isoindol-2(3H)-yl)succinate

Conditions
ConditionsYield
With 1,4-diaza-bicyclo[2.2.2]octane; tetrabutylammomium bromide at 100℃; for 2.5h; aza-Michael addition; Neat (no solvent);85%
1,2,3,6-tertahydrophthalimide
85-40-5

1,2,3,6-tertahydrophthalimide

11-bromomethyl-tricosane
732276-63-0

11-bromomethyl-tricosane

C32H57NO2
1266676-35-0

C32H57NO2

Conditions
ConditionsYield
With tetrabutylammomium bromide; potassium carbonate In N,N-dimethyl-formamide at 50℃; Inert atmosphere;85%
1,2,3,6-tertahydrophthalimide
85-40-5

1,2,3,6-tertahydrophthalimide

ethyl 2-(p-tolylamino)acetate
21911-68-2

ethyl 2-(p-tolylamino)acetate

C19H22N2O4

C19H22N2O4

Conditions
ConditionsYield
With oxygen; copper(l) chloride In acetonitrile at 50℃; for 24h; Green chemistry; regioselective reaction;85%
1,2,3,6-tertahydrophthalimide
85-40-5

1,2,3,6-tertahydrophthalimide

chloroformic acid ethyl ester
541-41-3

chloroformic acid ethyl ester

N-ethoxycarbonyl-1,2,3,6-tetrahydrophthalimide

N-ethoxycarbonyl-1,2,3,6-tetrahydrophthalimide

Conditions
ConditionsYield
With triethylamine In N,N-dimethyl-formamide at 0 - 20℃; for 4h;82%
2-methyl-1-buten-4-ol
763-32-6

2-methyl-1-buten-4-ol

1,2,3,6-tertahydrophthalimide
85-40-5

1,2,3,6-tertahydrophthalimide

2-(3-Methyl-but-3-enyl)-3a,4,7,7a-tetrahydro-isoindole-1,3-dione
82478-57-7

2-(3-Methyl-but-3-enyl)-3a,4,7,7a-tetrahydro-isoindole-1,3-dione

Conditions
ConditionsYield
With dimethyl azodicarboxylate; triphenylphosphine In tetrahydrofuran Ambient temperature; overnight;81%
3-(1,2,4,4a,5,6-hexahydro-pyrazino[1,2-a]quinolin-3-yl)-propylamine
182208-57-7

3-(1,2,4,4a,5,6-hexahydro-pyrazino[1,2-a]quinolin-3-yl)-propylamine

1,2,3,6-tertahydrophthalimide
85-40-5

1,2,3,6-tertahydrophthalimide

2-[3-(1,2,4,4a,5,6-hexahydro-pyrazino[1,2-a]quinolin-3-yl)-propyl]-3a,4,7,7a-tetrahydro-isoindole-1,3-dione

2-[3-(1,2,4,4a,5,6-hexahydro-pyrazino[1,2-a]quinolin-3-yl)-propyl]-3a,4,7,7a-tetrahydro-isoindole-1,3-dione

Conditions
ConditionsYield
In toluene Heating / reflux;80%
1,2,3,6-tertahydrophthalimide
85-40-5

1,2,3,6-tertahydrophthalimide

1-butyn-4-ol
927-74-2

1-butyn-4-ol

2-But-3-ynyl-3a,4,7,7a-tetrahydro-isoindole-1,3-dione
82478-59-9

2-But-3-ynyl-3a,4,7,7a-tetrahydro-isoindole-1,3-dione

Conditions
ConditionsYield
With dimethyl azodicarboxylate; triphenylphosphine In tetrahydrofuran Ambient temperature; overnight;78%
1,2,3,6-tertahydrophthalimide
85-40-5

1,2,3,6-tertahydrophthalimide

(Z)-2-fluoro-3-phenylprop-2-enyl acetate
62360-00-3

(Z)-2-fluoro-3-phenylprop-2-enyl acetate

phenol
108-95-2

phenol

(Z)-2-(2-phenoxy-3-phenylallyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione

(Z)-2-(2-phenoxy-3-phenylallyl)-3a,4,7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione

Conditions
ConditionsYield
With 1,1'-bis-(diphenylphosphino)ferrocene; bis(η3-allyl-μ-chloropalladium(II)); caesium carbonate In toluene at 80℃; for 16h; Inert atmosphere; regioselective reaction;78%
1,2,3,6-tertahydrophthalimide
85-40-5

1,2,3,6-tertahydrophthalimide

di-tert-butyl dicarbonate
24424-99-5

di-tert-butyl dicarbonate

3a,4,7,7a-tetrahydro-1H-isoindol-2(3H)-carboxylic acid tert-butylester

3a,4,7,7a-tetrahydro-1H-isoindol-2(3H)-carboxylic acid tert-butylester

Conditions
ConditionsYield
Stage #1: 1,2,3,6-tertahydrophthalimide With lithium aluminium tetrahydride In tetrahydrofuran at 0 - 60℃; for 18h;
Stage #2: di-tert-butyl dicarbonate With triethylamine In dichloromethane at 0 - 20℃; for 21.5h;
77.3%
methyl 2-(m-tolylamino)acetate
126689-79-0

methyl 2-(m-tolylamino)acetate

1,2,3,6-tertahydrophthalimide
85-40-5

1,2,3,6-tertahydrophthalimide

C18H20N2O4

C18H20N2O4

Conditions
ConditionsYield
With oxygen; copper(l) chloride In acetonitrile at 50℃; for 24h; Green chemistry; regioselective reaction;77%
1,2,3,6-tertahydrophthalimide
85-40-5

1,2,3,6-tertahydrophthalimide

di-n-propyl fumarate
14595-35-8

di-n-propyl fumarate

dipropyl 2-(3a,4,7,7a-tetrahydro-1,3-dioxo-1H-isoindol-2(3H)-yl)succinate
1252935-80-0

dipropyl 2-(3a,4,7,7a-tetrahydro-1,3-dioxo-1H-isoindol-2(3H)-yl)succinate

Conditions
ConditionsYield
With 1,4-diaza-bicyclo[2.2.2]octane; tetrabutylammomium bromide at 100℃; for 3.5h; aza-Michael addition; Neat (no solvent);76%
1,2,3,6-tertahydrophthalimide
85-40-5

1,2,3,6-tertahydrophthalimide

di-tert-butyl dicarbonate
24424-99-5

di-tert-butyl dicarbonate

(3aH,7aS)-tert-butyl 3a,4,7,7a-tetrahydro-1H-isoindole-2(3H)-carboxylate
474925-37-6

(3aH,7aS)-tert-butyl 3a,4,7,7a-tetrahydro-1H-isoindole-2(3H)-carboxylate

Conditions
ConditionsYield
Stage #1: 1,2,3,6-tertahydrophthalimide With lithium aluminium tetrahydride In tetrahydrofuran for 24h; Heating;
Stage #2: di-tert-butyl dicarbonate In dichloromethane for 1h; Further stages.;
73%
1,2,3,6-tertahydrophthalimide
85-40-5

1,2,3,6-tertahydrophthalimide

1,3-dibromo-propane
109-64-8

1,3-dibromo-propane

2-(3-bromopropyl)-3a,4.7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione
56401-24-2

2-(3-bromopropyl)-3a,4.7,7a-tetrahydro-1H-isoindole-1,3(2H)-dione

Conditions
ConditionsYield
With tetra-(n-butyl)ammonium iodide; potassium carbonate In acetone at 40℃; for 8h;72%
1,2,3,6-tertahydrophthalimide
85-40-5

1,2,3,6-tertahydrophthalimide

dibutyl fumarate
105-75-9

dibutyl fumarate

dibutyl 2-(3a,4,7,7a-tetrahydro-1,3-dioxo-1H-isoindol-2(3H)-yl)succinate
1252935-81-1

dibutyl 2-(3a,4,7,7a-tetrahydro-1,3-dioxo-1H-isoindol-2(3H)-yl)succinate

Conditions
ConditionsYield
With 1,4-diaza-bicyclo[2.2.2]octane; tetrabutylammomium bromide at 100℃; for 3.5h; aza-Michael addition; Neat (no solvent);72%
1,2,3,6-tertahydrophthalimide
85-40-5

1,2,3,6-tertahydrophthalimide

fumaric acid dipentyl ester
20314-74-3

fumaric acid dipentyl ester

dipentyl 2-(3a,4,7,7a-tetrahydro-1,3-dioxo-1H-isoindol-2(3H)-yl)succinate
1252935-82-2

dipentyl 2-(3a,4,7,7a-tetrahydro-1,3-dioxo-1H-isoindol-2(3H)-yl)succinate

Conditions
ConditionsYield
With 1,4-diaza-bicyclo[2.2.2]octane; tetrabutylammomium bromide at 100℃; for 4h; aza-Michael addition; Neat (no solvent);70%
1,2,3,6-tertahydrophthalimide
85-40-5

1,2,3,6-tertahydrophthalimide

pent-3-yn-2-one
7299-55-0

pent-3-yn-2-one

2-((E)-4-Oxo-pent-2-enyl)-3a,4,7,7a-tetrahydro-isoindole-1,3-dione

2-((E)-4-Oxo-pent-2-enyl)-3a,4,7,7a-tetrahydro-isoindole-1,3-dione

Conditions
ConditionsYield
With triphenylphosphine69%
1,2,3,6-tertahydrophthalimide
85-40-5

1,2,3,6-tertahydrophthalimide

dihexyl fumarate
19139-31-2

dihexyl fumarate

dihexyl 2-(3a,4,7,7a-tetrahydro-1,3-dioxo-1H-isoindol-2(3H)-yl)succinate
1252935-83-3

dihexyl 2-(3a,4,7,7a-tetrahydro-1,3-dioxo-1H-isoindol-2(3H)-yl)succinate

Conditions
ConditionsYield
With 1,4-diaza-bicyclo[2.2.2]octane; tetrabutylammomium bromide at 100℃; for 4.5h; aza-Michael addition; Neat (no solvent);68%
1,2,3,6-tertahydrophthalimide
85-40-5

1,2,3,6-tertahydrophthalimide

1-bromoacetone
598-31-2

1-bromoacetone

1-(Δ4-tetrahydrophthalimido)propan-2-one
54399-02-9

1-(Δ4-tetrahydrophthalimido)propan-2-one

Conditions
ConditionsYield
With sodium ethanolate In ethanol for 2h; Heating;64%
1,2,3,6-tertahydrophthalimide
85-40-5

1,2,3,6-tertahydrophthalimide

diheptyl fumarate
20314-73-2

diheptyl fumarate

diheptyl 2-(3a,4,7,7a-tetrahydro-1,3-dioxo-1H-isoindol-2(3H)-yl)succinate
1252935-84-4

diheptyl 2-(3a,4,7,7a-tetrahydro-1,3-dioxo-1H-isoindol-2(3H)-yl)succinate

Conditions
ConditionsYield
With 1,4-diaza-bicyclo[2.2.2]octane; tetrabutylammomium bromide at 100℃; for 5h; aza-Michael addition; Neat (no solvent);63%

85-40-5Relevant articles and documents

Synthesis of N-unsubstituted cyclic imides from anhydride with urea in deep eutectic solvent (DES) choline chloride/urea

Liu, Luxiao,Zhang, Hong-Yu,Yin, Guohui,Zhang, Yuecheng,Zhao, Jiquan

, p. 1351 - 1357 (2019/11/19)

N-Unsubstituted cyclic imides were readily synthesized in deep eutectic solvent (DES) choline chloride (ChCl)/urea from anhydrides with urea. Urea serves as both a DES component and a nitrogen source, which endows the protocol with advantages of smooth reaction, easy separation of products, simple recovery and recycling of ChCl/urea.

AMIDOALKYLPIPERAZINYL DERIVATIVES FOR THE TREATMENT OF CENTRAL NERVOUS SYSTEM DISEASES

-

Page/Page column 28; 29, (2013/03/26)

The invention relates to novel amidoalkylpiperazinyl derivatives of tricyclic heterocyclic systems of general formula (I), wherein Z represents -NH- and X represents -S-, or Z represents -S- and X represents >C=C1 represents H or -CH3, R6 and R7 both represent H, n is an integer from 0 to 4 inclusive, G represents a cyclic amide or imide moiety, and optical isomers, geometric isomers, and pharmaceutically acceptable salts thereof. The compounds may be useful for the treatment and/or prevention of the central nervous system disorders.

INCORPORATION OF MOLECULAR NITROGEN INTO AMIDES AND IMIDES BY USE OF TITANIUM-NITROGEN COMPLEXES

Mori,Miwako,Uozumi, Yasuhiro,Shibasaki, Masakatsu

, p. 6187 - 6190 (2007/10/02)

Molecular nitrogen was incorporated into amides and imides by the reaction of titanium-nitrogen complex 1 prepared from TiCl3 and Mg under N2 in THF with acyl chlorides 3.The cyclic imides 10, 12, 14 and quinazoline 16 were obtained by the reaction of isocyanate complex 6 generated by fixation of CO2 into titanium complex 1 with the corresponding cyclic anhydrides 9, 11, 13 and benzoxazone 15.

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