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Isoxepac
Cas No: 55453-87-7
USD $ 5.0-5.0 / Gram 1 Gram 100 Metric Ton/Year Jinan Finer Chemical Co., Ltd Contact Supplier
Isoxepac
Cas No: 55453-87-7
No Data 1 Kilogram 20 Metric Ton/Day Skyrun Industrial Co.,Ltd Contact Supplier
Isoxepac Manufacturer/High quality/Best price/In stock
Cas No: 55453-87-7
USD $ 3.0-3.0 / Kilogram 1 Kilogram 1-100 Metric Ton/Month Dayang Chem (Hangzhou) Co.,Ltd. Contact Supplier
High quality 6,11-Dihydro-11-Oxo-Dibenz[B,E]Oxepin-2-Acetic Acid supplier in China
Cas No: 55453-87-7
No Data 1 Metric Ton 30 Metric Ton/Month Simagchem Corporation Contact Supplier
Isoxepac CAS NO.55453-87-7
Cas No: 55453-87-7
USD $ 1.0-3.0 / Metric Ton 1 Metric Ton 10 Metric Ton/Day Hebei yanxi chemical co.,LTD. Contact Supplier
Olopatadine intermediate Isoxepac CAS 55453-87-7 supplied by manufacturer
Cas No: 55453-87-7
USD $ 300.0-380.0 / Kilogram 1 Kilogram 3000 Kilogram/Month Wuhan Fortuna Chemical Co.,Ltd Contact Supplier
Isoxepac
Cas No: 55453-87-7
No Data 1 Kilogram 20 Metric Ton/Month Henan Allgreen Chemical Co.,Ltd Contact Supplier
Factory Supply 6,11-Dihydro-11-Oxo-Dibenz[B,E]Oxepin-2-Acetic Acid
Cas No: 55453-87-7
No Data 1 1 Ality Chemical Corporation Contact Supplier
Isoxepac
Cas No: 55453-87-7
No Data 23 Metric Ton 3000 Kilogram/Month ORCHID CHEMICAL SUPPLIES LTD Contact Supplier
Isoxepac / LIDE PHARMA- Factory supply / Best price
Cas No: 55453-87-7
No Data 1 Gram 1000 Kilogram/Day LIDE PHARMACEUTICALS LIMITED Contact Supplier

55453-87-7 Usage

Chemical Properties

Beige Solid

Uses

Isoxepac is a non-steroidal anti-inflammatory with analgesic and antipyretic activity. It is more slowly absorbed and eliminated in the rat and rabbit after oral dosing than in the dog, rhesus monkey and man.It can be used to treat allergic rhinitis, urticaria, and skin diseases with itching symptoms.

Definition

ChEBI: Isoxepac is a dibenzooxazepine.

Preparation

Isoxic acid is an important intermediate in the synthesis of the new preferred anti-allergic drug, olopatadine hydrochloride, preparation method of isoxepac:(1) condensation: prepare p-hydroxyphenylaceticacid 8-12 part, phthalide 6-12 part, sodium methylate 8-12 part by weight; Dissolve with DMAC and to add said sodium methylate behind said p-hydroxyphenylaceticacid and the phthalide; Be that 0.1-10Pa is heated to 80-170 ℃ of reaction 3-10h at pressure then; Regulate the pH value to 1-5,4-(2-carboxyl benzyloxy) toluylic acid is separated out in crystallization;(2) cyclization: with Glacial acetic acid min. 99.5 dissolving step (1) gained 4-(2-carboxyl benzyloxy) toluylic acid, adding 3-52 weight part polyphosphoric acid again, is that 0.1-10Pa is heated to 30-100 ℃ of reaction 3-12h at pressure, and crystallisation by cooling gets the Isoxepac bullion then;(3) purify: behind the said Isoxepac bullion of acetic acid ethyl dissolution, refining decolouring gets the Isoxepac product.https://patents.google.com/patent/CN102838582A/en

Brand name

Artil(Hoechst-Roussel) .

Check Digit Verification of cas no

The CAS Registry Mumber 55453-87-7 includes 8 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 5 digits, 5,5,4,5 and 3 respectively; the second part has 2 digits, 8 and 7 respectively.
Calculate Digit Verification of CAS Registry Number 55453-87:
(7*5)+(6*5)+(5*4)+(4*5)+(3*3)+(2*8)+(1*7)=137
137 % 10 = 7
So 55453-87-7 is a valid CAS Registry Number.
InChI:InChI=1/C16H12O4/c17-15(18)8-10-5-6-14-13(7-10)16(19)12-4-2-1-3-11(12)9-20-14/h1-7H,8-9H2,(H,17,18)

55453-87-7 Well-known Company Product Price

Brand (Code)Product description CAS number Packaging Price Detail
TCI America (D4242)  6,11-Dihydro-11-oxodibenzo[b,e]oxepin-2-acetic Acid  >97.0%(HPLC)(T) 55453-87-7 1g 490.00CNY Detail
TCI America (D4242)  6,11-Dihydro-11-oxodibenzo[b,e]oxepin-2-acetic Acid  >97.0%(HPLC)(T) 55453-87-7 5g 1,390.00CNY Detail

55453-87-7SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 12, 2017

Revision Date: Aug 12, 2017

1.Identification

1.1 GHS Product identifier

Product name 2-(11-Oxo-6,11-dihydrodibenzo[b,e]oxepin-2-yl)acetic acid

1.2 Other means of identification

Product number -
Other names Isoxepac

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:55453-87-7 SDS

55453-87-7Synthetic route

4-(2-carboxybenzyloxy) phenyl acetic acid
55453-89-9

4-(2-carboxybenzyloxy) phenyl acetic acid

isoxepac
55453-87-7

isoxepac

Conditions
ConditionsYield
Stage #1: 4-(2-carboxybenzyloxy) phenyl acetic acid With trifluoroacetic anhydride In chlorobenzene at 20℃; for 4h;
Stage #2: boron trifluoride diethyl etherate In chlorobenzene at -10 - 0℃; for 0.666667h;
96.4%
Stage #1: 4-(2-carboxybenzyloxy) phenyl acetic acid With trifluorormethanesulfonic acid; trifluoroacetic anhydride In toluene at 20 - 35℃; for 1h;
Stage #2: With water In toluene
71.3%
With acetic anhydride at 80 - 90℃; for 2h; Large scale;69.9%
4-hydroxyphenylacetate
156-38-7

4-hydroxyphenylacetate

2-(chloromethyl)benzoic acid
85888-81-9

2-(chloromethyl)benzoic acid

isoxepac
55453-87-7

isoxepac

Conditions
ConditionsYield
Stage #1: 4-hydroxyphenylacetate With potassium hydroxide In methanol at 20℃; for 1h; Friedel-Crafts Acylation;
Stage #2: 2-(chloromethyl)benzoic acid In methanol Reflux;
Stage #3: With Eaton′s Reagent at 80℃; for 2h; Reagent/catalyst; Solvent; Concentration;
79.3%
methyl 2-bromomethylbenzoate
2417-73-4

methyl 2-bromomethylbenzoate

isoxepac
55453-87-7

isoxepac

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: K2CO3, KI / butan-2-one / 24 h / Heating
2: KOH / aq. ethanol / Heating
3: 1.) (CF3CO)2O, 2.) 10percent aq. HCl / 1.) CH2Cl2, reflux, 4 h, 2.) acetone, reflux, 24 h
View Scheme
(4-hydroxy-phenyl)-acetic acid ethyl ester
17138-28-2

(4-hydroxy-phenyl)-acetic acid ethyl ester

isoxepac
55453-87-7

isoxepac

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: K2CO3, KI / butan-2-one / 24 h / Heating
2: KOH / aq. ethanol / Heating
3: 1.) (CF3CO)2O, 2.) 10percent aq. HCl / 1.) CH2Cl2, reflux, 4 h, 2.) acetone, reflux, 24 h
View Scheme
2-(4-Ethoxycarbonylmethyl-phenoxymethyl)-benzoic acid methyl ester

2-(4-Ethoxycarbonylmethyl-phenoxymethyl)-benzoic acid methyl ester

isoxepac
55453-87-7

isoxepac

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: KOH / aq. ethanol / Heating
2: 1.) (CF3CO)2O, 2.) 10percent aq. HCl / 1.) CH2Cl2, reflux, 4 h, 2.) acetone, reflux, 24 h
View Scheme
4-benzyloxy-3-carboxyphenylacetic acid
69031-39-6

4-benzyloxy-3-carboxyphenylacetic acid

isoxepac
55453-87-7

isoxepac

Conditions
ConditionsYield
In methylene chloride-nitromethane; 4-benzyloxy-3-chlorocarbonylphenylacetyl chloride
4-hydroxyphenylacetate
156-38-7

4-hydroxyphenylacetate

isoxepac
55453-87-7

isoxepac

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1.1: sodium methylate / N,N-dimethyl-formamide; methanol / 120 - 135 °C
1.2: 5 - 10 °C
2.1: acetic acid / 2.5 h / 70 - 75 °C
View Scheme
2-benzofuran-1(3H)-one
87-41-2

2-benzofuran-1(3H)-one

isoxepac
55453-87-7

isoxepac

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1.1: sodium methylate / N,N-dimethyl-formamide; methanol / 120 - 135 °C
1.2: 5 - 10 °C
2.1: acetic acid / 2.5 h / 70 - 75 °C
View Scheme
4-(2-methoxycarbonylbenzyloxy)phenyl acetic acid
1009378-92-0

4-(2-methoxycarbonylbenzyloxy)phenyl acetic acid

isoxepac
55453-87-7

isoxepac

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1.1: potassium hydroxide; N-benzyl-N,N,N-triethylammonium chloride / ethanol / 3 h / Reflux; Large scale
1.2: pH 1 - 2 / Large scale
2.1: acetic anhydride / 2 h / 80 - 90 °C / Large scale
View Scheme
o-(chloromethyl)benzoic acid methyl ester
34040-62-5

o-(chloromethyl)benzoic acid methyl ester

isoxepac
55453-87-7

isoxepac

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1.1: potassium carbonate / ethanol / 24 h / Reflux
2.1: potassium hydroxide; N-benzyl-N,N,N-triethylammonium chloride / ethanol / 3 h / Reflux; Large scale
2.2: pH 1 - 2 / Large scale
3.1: acetic anhydride / 2 h / 80 - 90 °C / Large scale
View Scheme
Methyl 4-hydroxyphenylacetate
14199-15-6

Methyl 4-hydroxyphenylacetate

isoxepac
55453-87-7

isoxepac

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1.1: potassium carbonate / ethanol / 24 h / Reflux
2.1: potassium hydroxide; N-benzyl-N,N,N-triethylammonium chloride / ethanol / 3 h / Reflux; Large scale
2.2: pH 1 - 2 / Large scale
3.1: acetic anhydride / 2 h / 80 - 90 °C / Large scale
View Scheme
isoxepac
55453-87-7

isoxepac

11-hydroxy-2-(2-hydroxyethyl)-6,11-dihydrodibenz[b,e]oxepin
56427-65-7

11-hydroxy-2-(2-hydroxyethyl)-6,11-dihydrodibenz[b,e]oxepin

Conditions
ConditionsYield
With lithium aluminium tetrahydride In tetrahydrofuran for 1h; Ambient temperature;98%
isoxepac
55453-87-7

isoxepac

benzyl alcohol
100-51-6

benzyl alcohol

(11-oxo-6,11-dihydro-dibenzo[b,e]oxepin-2-yl)-acetic acid benzyl ester
60548-16-5

(11-oxo-6,11-dihydro-dibenzo[b,e]oxepin-2-yl)-acetic acid benzyl ester

Conditions
ConditionsYield
toluene-4-sulfonic acid In toluene Reflux;98%
isoxepac
55453-87-7

isoxepac

tert-butyl alcohol
75-65-0

tert-butyl alcohol

tert-butyl 11-oxo-6,11-dihydrodibenzo[b,e]oxepin-2-acetate

tert-butyl 11-oxo-6,11-dihydrodibenzo[b,e]oxepin-2-acetate

Conditions
ConditionsYield
With 1-methyl-1H-imidazole; di-tert-butyl dicarbonate; triethylamine In toluene at 50℃; for 8.5h; Reagent/catalyst; Solvent; Temperature;97%
Stage #1: isoxepac With trifluoroacetic anhydride In toluene at 20℃; for 1h;
Stage #2: tert-butyl alcohol In toluene at 20 - 80℃; for 4h;
79.9%
isoxepac
55453-87-7

isoxepac

(Z)-11-(3-dimethylaminopropylidene)-6,11-dihydro-dibenz-[b,e]oxepine-2-acetic acid hydrobromide
951006-73-8

(Z)-11-(3-dimethylaminopropylidene)-6,11-dihydro-dibenz-[b,e]oxepine-2-acetic acid hydrobromide

Conditions
ConditionsYield
Stage #1: anhydrous 3-(dimethylamino)propyltriphenylphosphonium bromide hydrobromide With sodium hydride In tetrahydrofuran at 20 - 60℃; for 3.66667h;
Stage #2: isoxepac In tetrahydrofuran at 10 - 25℃; for 20 - 30h; Wittig Reaction;
Stage #3: With hydrogen bromide In 2-methyltetrahydrofuran; water; isopropyl alcohol pH=4.3 - 13.8; Product distribution / selectivity;
96.95%
Stage #1: (3-dimethylaminopropyl)-triphenylphosphoniumbromide With sodium hydride In tetrahydrofuran at 20 - 60℃; for 2.5h;
Stage #2: isoxepac In tetrahydrofuran at 15 - 25℃; for 40h; Wittig Reaction;
Stage #3: With hydrogen bromide In water; butan-1-ol at 0 - 25℃; pH=4.2 - 12.59; Product distribution / selectivity;
53.5%
isoxepac
55453-87-7

isoxepac

isopropyl alcohol
67-63-0

isopropyl alcohol

(11-oxo-6,11-dihydro-dibenzo[b,e]oxepin-2-yl)-acetic acid isopropyl ester
56427-76-0

(11-oxo-6,11-dihydro-dibenzo[b,e]oxepin-2-yl)-acetic acid isopropyl ester

Conditions
ConditionsYield
toluene-4-sulfonic acid Reflux;96%
methanol
67-56-1

methanol

isoxepac
55453-87-7

isoxepac

methyl 6,11-dihydro-11-oxodibenz[b,e]oxepin-2-acetate
55689-64-0

methyl 6,11-dihydro-11-oxodibenz[b,e]oxepin-2-acetate

Conditions
ConditionsYield
With tert.-butylnitrite at 40℃; for 48h;96%
With thionyl chloride at 0 - 20℃; for 24.5h;
With thionyl chloride at 0 - 25℃; for 24.5h;
isoxepac
55453-87-7

isoxepac

ethanol
64-17-5

ethanol

ethyl 2-(11-oxo-6,11-dihydrodibenzo[b,e]oxepin-2-yl)acetate
55453-90-2

ethyl 2-(11-oxo-6,11-dihydrodibenzo[b,e]oxepin-2-yl)acetate

Conditions
ConditionsYield
With toluene-4-sulfonic acid for 2h; Reflux;94%
toluene-4-sulfonic acid Reflux;93%
isoxepac
55453-87-7

isoxepac

butan-1-ol
71-36-3

butan-1-ol

(11-oxo-6,11-dihydro-dibenzo[b,e]oxepin-2-yl)-acetic acid butyl ester
60548-14-3

(11-oxo-6,11-dihydro-dibenzo[b,e]oxepin-2-yl)-acetic acid butyl ester

Conditions
ConditionsYield
With sulfuric acid at 115℃;93%
With sulfuric acid at 115℃; for 2h; Dean Stark apparatus;93%
isoxepac
55453-87-7

isoxepac

N-(3-chloropropyl)-N,N-dimethylamine hydrochloride

N-(3-chloropropyl)-N,N-dimethylamine hydrochloride

olopatadine hydrochloride
140462-76-6

olopatadine hydrochloride

Conditions
ConditionsYield
Stage #1: N-(3-chloropropyl)-N,N-dimethylamine hydrochloride With potassium bromide for 1h; Inert atmosphere;
Stage #2: With N,N,N,N,N,N-hexamethylphosphoric triamide In dimethyl sulfoxide for 2h; Reflux;
Stage #3: isoxepac In dimethyl sulfoxide at 20℃; for 1h; Reagent/catalyst; Solvent;
90.5%
isoxepac
55453-87-7

isoxepac

Cyclopropylamine
765-30-0

Cyclopropylamine

N-cyclopropyl-2-(11-oxo-6,11-dihydrodibenzo[b,e]oxepin-2-yl)acetamide

N-cyclopropyl-2-(11-oxo-6,11-dihydrodibenzo[b,e]oxepin-2-yl)acetamide

Conditions
ConditionsYield
Stage #1: isoxepac With 1,1'-carbonyldiimidazole In dichloromethane for 1h;
Stage #2: Cyclopropylamine In dichloromethane at 20℃; for 2h;
90%
Stage #1: isoxepac With 1,1'-carbonyldiimidazole In dichloromethane for 1h;
Stage #2: Cyclopropylamine In dichloromethane at 20℃; for 2h;
90%
isoxepac
55453-87-7

isoxepac

1-bromo-3-propanol
627-18-9

1-bromo-3-propanol

3-bromopropyl 2-(11-oxo-6,11-dihydrodibenzo[b,e]oxepin-2-yl)acetate

3-bromopropyl 2-(11-oxo-6,11-dihydrodibenzo[b,e]oxepin-2-yl)acetate

Conditions
ConditionsYield
With dmap; dicyclohexyl-carbodiimide In dichloromethane at 20℃; for 24h; Inert atmosphere;89%
isoxepac
55453-87-7

isoxepac

6,11-Dihydro-11-oxodibenz[b,e]oxepin-2-carboxaldehyde
66801-46-5

6,11-Dihydro-11-oxodibenz[b,e]oxepin-2-carboxaldehyde

Conditions
ConditionsYield
With tris(bipyridine)ruthenium(II) dichloride hexahydrate; 1-λ3-benzo[d][1,2]iodaoxol-3(1H)-one In 2,2,2-trifluoroethanol at 40℃; for 3h; UV-irradiation;86%
With oxygen; copper diacetate In dimethyl sulfoxide at 120℃;
isoxepac
55453-87-7

isoxepac

monomethyl monopotassium malonate
38330-80-2

monomethyl monopotassium malonate

C19H16O5

C19H16O5

Conditions
ConditionsYield
Stage #1: isoxepac With 1,1'-carbonyldiimidazole In tetrahydrofuran at 20℃; for 2h; Inert atmosphere;
Stage #2: monomethyl monopotassium malonate With magnesium chloride In dichloromethane at 20℃; for 24h; Inert atmosphere;
86%
isoxepac
55453-87-7

isoxepac

isobutene
115-11-7

isobutene

tert-butyl 11-oxo-6,11-dihydrodibenzo[b,e]oxepin-2-acetate

tert-butyl 11-oxo-6,11-dihydrodibenzo[b,e]oxepin-2-acetate

Conditions
ConditionsYield
Stage #1: isoxepac With potassium carbonate; trichlorophosphate In water; chlorobenzene at 40℃;
Stage #2: isobutene In water; chlorobenzene at 40℃; for 8h; Product distribution / selectivity;
85.3%
isoxepac
55453-87-7

isoxepac

hex-5-en-3-yn-1-ol
28916-38-3

hex-5-en-3-yn-1-ol

hex-5-en-3-yn-1-yl 2-(11-oxo-6,11-dihydrodibenzo[b,e]oxepin-2-yl)acetate

hex-5-en-3-yn-1-yl 2-(11-oxo-6,11-dihydrodibenzo[b,e]oxepin-2-yl)acetate

Conditions
ConditionsYield
With dmap; diisopropyl-carbodiimide In dichloromethane at 20℃; for 12h; Inert atmosphere; Schlenk technique;84%
isoxepac
55453-87-7

isoxepac

2-(chloromethyl)dibenzo[b,e]oxepin-11(6H)-one
66801-38-5

2-(chloromethyl)dibenzo[b,e]oxepin-11(6H)-one

Conditions
ConditionsYield
With tris(bipyridine)ruthenium(II) dichloride hexahydrate; dibenzenesulfonamide; 1-λ3-benzo[d][1,2]iodaoxol-3(1H)-one; tetrabutyl-ammonium chloride In dichloromethane at 40℃; for 24h; Inert atmosphere; Schlenk technique; Irradiation;82%
isoxepac
55453-87-7

isoxepac

(4-vinyl-phenyl)-methanol
1074-61-9

(4-vinyl-phenyl)-methanol

4-vinylbenzyl 2-(11-oxo-6,11-dihydrodibenzo[b,e]oxepin-2-yl)acetate

4-vinylbenzyl 2-(11-oxo-6,11-dihydrodibenzo[b,e]oxepin-2-yl)acetate

Conditions
ConditionsYield
With dmap; diisopropyl-carbodiimide In dichloromethane82%
isoxepac
55453-87-7

isoxepac

N,N-dimethyl-3-bromopropylamine
53929-74-1

N,N-dimethyl-3-bromopropylamine

olopatadine
113806-05-6

olopatadine

Conditions
ConditionsYield
Stage #1: N,N-dimethyl-3-bromopropylamine With zinc dibromide In tetrahydrofuran at 10 - 20℃; for 0.166667h; Inert atmosphere;
Stage #2: With naphthalene; lithium In tetrahydrofuran at 65 - 70℃; Inert atmosphere;
Stage #3: isoxepac In tetrahydrofuran at 0 - 25℃; for 16.5h; Reagent/catalyst; Temperature;
81.2%
isoxepac
55453-87-7

isoxepac

2,2,2-trifluoroethanol
75-89-8

2,2,2-trifluoroethanol

2,2,2-trifluoroethyl 2-(11-oxo-6,11-dihydrodibenzo[b,e]oxepin-2-yl)acetate

2,2,2-trifluoroethyl 2-(11-oxo-6,11-dihydrodibenzo[b,e]oxepin-2-yl)acetate

Conditions
ConditionsYield
With thionyl chloride; triethylamine at 0 - 40℃; for 12.3333h; Inert atmosphere;80%
N-hydroxyphthalimide
524-38-9

N-hydroxyphthalimide

isoxepac
55453-87-7

isoxepac

1,3-dioxoisoindolin-2-yl 2-(11-oxo-6,11-dihydrodibenzo[b,e]oxepin-2-yl)acetate

1,3-dioxoisoindolin-2-yl 2-(11-oxo-6,11-dihydrodibenzo[b,e]oxepin-2-yl)acetate

Conditions
ConditionsYield
With dmap; dicyclohexyl-carbodiimide In dichloromethane at 20℃;80%
With dmap; diisopropyl-carbodiimide In dichloromethane at 20℃; for 1h;71%
With dmap; diisopropyl-carbodiimide In dichloromethane
isoxepac
55453-87-7

isoxepac

2,2,2,-trichloroethoxycarbonyl azide

2,2,2,-trichloroethoxycarbonyl azide

2,2,2-trichloroethyl ((11-oxo-6,11-dihydrodibenzo[b,e]oxepin-2-yl)methyl)carbamate

2,2,2-trichloroethyl ((11-oxo-6,11-dihydrodibenzo[b,e]oxepin-2-yl)methyl)carbamate

Conditions
ConditionsYield
With dmap; copper diacetate In acetonitrile at 80℃; for 3h; Schlenk technique; Sealed tube;80%
3-(N,N-dimethylamino)propylmagnesium chloride
19070-16-7

3-(N,N-dimethylamino)propylmagnesium chloride

isoxepac
55453-87-7

isoxepac

11-hydroxy-11-(3-dimethylaminopropyl)-6,11-dihydrodibenz[b,e] oxepin-2-acetic acid

11-hydroxy-11-(3-dimethylaminopropyl)-6,11-dihydrodibenz[b,e] oxepin-2-acetic acid

Conditions
ConditionsYield
Stage #1: 3-(N,N-dimethylamino)propylmagnesium chloride; isoxepac In tetrahydrofuran; toluene at 5 - 18℃; for 2.08333h;
Stage #2: With water; acetic acid In tetrahydrofuran; toluene
79.7%
isoxepac
55453-87-7

isoxepac

4-bromo-5, 5, 5-trifluoropentan-1-ol

4-bromo-5, 5, 5-trifluoropentan-1-ol

4-bromo-5,5,5-trifluoropentyl 2-(11-oxo-6,11-dihydrodibenzo[b,e]oxepin-2-yl)acetate

4-bromo-5,5,5-trifluoropentyl 2-(11-oxo-6,11-dihydrodibenzo[b,e]oxepin-2-yl)acetate

Conditions
ConditionsYield
With triphenylphosphine; diethylazodicarboxylate In tetrahydrofuran at 0 - 20℃; for 12.5h; Inert atmosphere;79%
isoxepac
55453-87-7

isoxepac

methylamine hydrochloride
593-51-1

methylamine hydrochloride

N-methyl-2-(11-oxo-6,11-dihydrodibenzo[b,e]oxepin-2-yl)acetamide

N-methyl-2-(11-oxo-6,11-dihydrodibenzo[b,e]oxepin-2-yl)acetamide

Conditions
ConditionsYield
With dmap; dicyclohexyl-carbodiimide In dichloromethane78%
isoxepac
55453-87-7

isoxepac

dibenzenesulfonamide
2618-96-4

dibenzenesulfonamide

N-[(11-oxo-6,11-dihydrodibenzo[b,e]oxepin-2-yl)methyl]-N-phenylsulfonylbenzenesulfonamide

N-[(11-oxo-6,11-dihydrodibenzo[b,e]oxepin-2-yl)methyl]-N-phenylsulfonylbenzenesulfonamide

Conditions
ConditionsYield
With tris(bipyridine)ruthenium(II) dichloride hexahydrate; 1-λ3-benzo[d][1,2]iodaoxol-3(1H)-one In dichloromethane at 40℃; for 24h; Inert atmosphere; Schlenk technique; Irradiation;75%
isoxepac
55453-87-7

isoxepac

1-(1-hydroxybutan-2-yl)-2,4,6-triphenylpyridin-1-ium tetrafluoroborate

1-(1-hydroxybutan-2-yl)-2,4,6-triphenylpyridin-1-ium tetrafluoroborate

1-(1-(2-(11-oxo-6,11-dihydrodibenzo[b,e]oxepin-2-yl)acetoxy)butan-2-yl)-2,4,6-triphenylpyridin-1-ium tetrafluoroborate

1-(1-(2-(11-oxo-6,11-dihydrodibenzo[b,e]oxepin-2-yl)acetoxy)butan-2-yl)-2,4,6-triphenylpyridin-1-ium tetrafluoroborate

Conditions
ConditionsYield
With dmap; dicyclohexyl-carbodiimide In dichloromethane at 20℃; for 24h;72%
isoxepac
55453-87-7

isoxepac

Propargylamine
2450-71-7

Propargylamine

C19H15NO3

C19H15NO3

Conditions
ConditionsYield
With 1,1'-carbonyldiimidazole In dichloromethane at 0 - 20℃; for 2h;72%
isoxepac
55453-87-7

isoxepac

6,11-dihydro-11-oxodibenz[b,e]oxepin-2-carboxylic acid
66801-40-9

6,11-dihydro-11-oxodibenz[b,e]oxepin-2-carboxylic acid

Conditions
ConditionsYield
With tris(bipyridine)ruthenium(II) dichloride hexahydrate; [bis(acetoxy)iodo]benzene; oxygen In 2,2,2-trifluoroethanol for 24h; UV-irradiation;70%
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