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122-75-8 Usage

Chemical Properties

White needle crystal

Uses

N,N''-Dibenzylethylenediamine is currently being investigated as a potential hepatitis C virus inhibitor. N,N''-dibenzylethylenediamine and its derivatives are also inhibitors of cholesterol biosynthesis.

Check Digit Verification of cas no

The CAS Registry Mumber 122-75-8 includes 6 digits separated into 3 groups by hyphens. The first part of the number,starting from the left, has 3 digits, 1,2 and 2 respectively; the second part has 2 digits, 7 and 5 respectively.
Calculate Digit Verification of CAS Registry Number 122-75:
(5*1)+(4*2)+(3*2)+(2*7)+(1*5)=38
38 % 10 = 8
So 122-75-8 is a valid CAS Registry Number.

122-75-8 Well-known Company Product Price

  • Brand
  • (Code)Product description
  • CAS number
  • Packaging
  • Price
  • Detail
  • Alfa Aesar

  • (L17974)  N,N'-Dibenzylethylenediamine diacetate, 99%   

  • 122-75-8

  • 25g

  • 210.0CNY

  • Detail
  • Alfa Aesar

  • (L17974)  N,N'-Dibenzylethylenediamine diacetate, 99%   

  • 122-75-8

  • 100g

  • 701.0CNY

  • Detail
  • Alfa Aesar

  • (L17974)  N,N'-Dibenzylethylenediamine diacetate, 99%   

  • 122-75-8

  • 500g

  • 2516.0CNY

  • Detail

122-75-8SDS

SAFETY DATA SHEETS

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

Version: 1.0

Creation Date: Aug 10, 2017

Revision Date: Aug 10, 2017

1.Identification

1.1 GHS Product identifier

Product name N,N'-Dibenzyl ethylenediamine diacetate

1.2 Other means of identification

Product number -
Other names N,N-Dibenzylethylenediamine Diacetate

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:122-75-8 SDS

122-75-8Synthetic route

acetic acid
64-19-7

acetic acid

N,N'-Dibenzylethylenediamine
140-28-3

N,N'-Dibenzylethylenediamine

N,N'-dibenzylethylenediamine diacetate
122-75-8

N,N'-dibenzylethylenediamine diacetate

Conditions
ConditionsYield
In ethyl acetate at 5 - 60℃; for 1h;96.91%
N,N'-dibenzylethylenediamine diacetate
10507-26-3

N,N'-dibenzylethylenediamine diacetate

N,N'-dibenzylethylenediamine diacetate
122-75-8

N,N'-dibenzylethylenediamine diacetate

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: hydrogenchloride / water / 5 h / 1.5 - 76 °C
2: sodium hydroxide / water / 20 °C
3: ethyl acetate / 1 h / 5 - 60 °C
View Scheme
N,N'-dibenzylethylenediamine diacetate
122-75-8

N,N'-dibenzylethylenediamine diacetate

(1S,4S)-1-<3-(benzoylthio)-2-methyl-1-oxopropyl>-4-(phenylthio)-L-proline potassium salt
81938-42-3

(1S,4S)-1-<3-(benzoylthio)-2-methyl-1-oxopropyl>-4-(phenylthio)-L-proline potassium salt

zofenopril, Ν,Ν'-dibenzylethylenediamine salt

zofenopril, Ν,Ν'-dibenzylethylenediamine salt

Conditions
ConditionsYield
In ethanol at 30℃; for 0.25h;100%
formaldehyd
50-00-0

formaldehyd

2-nitro-1-ethanol
625-48-9

2-nitro-1-ethanol

N,N'-dibenzylethylenediamine diacetate
122-75-8

N,N'-dibenzylethylenediamine diacetate

1,4-dibenzyl-6-hydroxymethyl-6-nitroperhydro-1,4-diazepine
1173766-86-3

1,4-dibenzyl-6-hydroxymethyl-6-nitroperhydro-1,4-diazepine

Conditions
ConditionsYield
In ethanol; toluene for 6h; Mannich reaction; Reflux;99.5%
2,3-dibromopropionitrile
4554-16-9

2,3-dibromopropionitrile

N,N'-dibenzylethylenediamine diacetate
122-75-8

N,N'-dibenzylethylenediamine diacetate

1,4-dibenzyl-2-carbonitrilepiperazine
170701-81-2

1,4-dibenzyl-2-carbonitrilepiperazine

Conditions
ConditionsYield
With triethylamine In benzene for 3h; Cyclization; Heating;98.2%
7-α-methoxy-7-[(2-thienyl)acetamido]-4-cephalosporanic acid cyclohexylamine

7-α-methoxy-7-[(2-thienyl)acetamido]-4-cephalosporanic acid cyclohexylamine

N,N'-dibenzylethylenediamine diacetate
122-75-8

N,N'-dibenzylethylenediamine diacetate

3-hydroxymethyl-7α-[(2-thienyl)acetamido]-4-cephalosporanic acid benzathine salt

3-hydroxymethyl-7α-[(2-thienyl)acetamido]-4-cephalosporanic acid benzathine salt

Conditions
ConditionsYield
Stage #1: 7-α-methoxy-7-[(2-thienyl)acetamido]-4-cephalosporanic acid cyclohexylamine With sodium hydroxide In methanol; water pH=10;
Stage #2: N,N'-dibenzylethylenediamine diacetate In ethyl acetate at 25℃;
96%
Stage #1: 7-α-methoxy-7-[(2-thienyl)acetamido]-4-cephalosporanic acid cyclohexylamine With sodium hydroxide In methanol; water at -25℃; for 1h;
Stage #2: N,N'-dibenzylethylenediamine diacetate In water; ethyl acetate at 30 - 35℃; for 1.5h; Temperature; Solvent;
formaldehyd
50-00-0

formaldehyd

N,N'-dibenzylethylenediamine diacetate
122-75-8

N,N'-dibenzylethylenediamine diacetate

6-(2-t-butoxycarbonyl-ethyl)-6-nitro-1,4-dibenzylperhydro-1,4-diazepine
873200-26-1

6-(2-t-butoxycarbonyl-ethyl)-6-nitro-1,4-dibenzylperhydro-1,4-diazepine

Conditions
ConditionsYield
Stage #1: N,N'-dibenzylethylenediamine diacetate; 4-nitrobutanoic acid t-butyl ester In ethanol at 60℃;
Stage #2: formaldehyd In ethanol at 20 - 60℃; for 19h;
86%
formaldehyd
50-00-0

formaldehyd

Methyl 11-nitroundecanoate
128224-90-8

Methyl 11-nitroundecanoate

N,N'-dibenzylethylenediamine diacetate
122-75-8

N,N'-dibenzylethylenediamine diacetate

C30H43N3O4

C30H43N3O4

Conditions
ConditionsYield
Stage #1: Methyl 11-nitroundecanoate; N,N'-dibenzylethylenediamine diacetate In ethanol; toluene Reflux;
Stage #2: formaldehyd In ethanol; toluene for 5h; Heating;
85%
formaldehyd
50-00-0

formaldehyd

(1R,4R)-4-(nitromethyl)cyclohexanecarboxylic acid methyl ester
1456626-16-6

(1R,4R)-4-(nitromethyl)cyclohexanecarboxylic acid methyl ester

N,N'-dibenzylethylenediamine diacetate
122-75-8

N,N'-dibenzylethylenediamine diacetate

6-[(1R,4R)-4-(methoxycarbonyl)cyclohexane-1-yl]-6-nitro-1,4-bis(phenylmethyl)-tetrahydro-1H-1,4-diazepine
1456626-17-7

6-[(1R,4R)-4-(methoxycarbonyl)cyclohexane-1-yl]-6-nitro-1,4-bis(phenylmethyl)-tetrahydro-1H-1,4-diazepine

Conditions
ConditionsYield
Stage #1: formaldehyd; N,N'-dibenzylethylenediamine diacetate In ethanol at 60 - 80℃; for 1.5h;
Stage #2: (1R,4R)-4-(nitromethyl)cyclohexanecarboxylic acid methyl ester In ethanol at 80℃; for 6h;
76%
Stage #1: formaldehyd; N,N'-dibenzylethylenediamine diacetate In ethanol at 60 - 80℃; for 1.5h;
Stage #2: (1R,4R)-4-(nitromethyl)cyclohexanecarboxylic acid methyl ester In ethanol at 80℃; for 6h;
76%
6-[bis[2-[(1,1-dimethyl)ethoxy]-2-oxoethyl]amino]-6-[5-[(2,5-dioxo-1-pyrrolidinyl)oxy]-5-oxopent-1-yl]-tetrahydro-1H-1,4-diazepine-1,4(5H)-diacetic acid bis [(1,1-dimethyl)ethyl] ester
1456625-91-4

6-[bis[2-[(1,1-dimethyl)ethoxy]-2-oxoethyl]amino]-6-[5-[(2,5-dioxo-1-pyrrolidinyl)oxy]-5-oxopent-1-yl]-tetrahydro-1H-1,4-diazepine-1,4(5H)-diacetic acid bis [(1,1-dimethyl)ethyl] ester

(1R,4R)-4-(nitromethyl)cyclohexanecarboxylic acid methyl ester

(1R,4R)-4-(nitromethyl)cyclohexanecarboxylic acid methyl ester

N,N'-dibenzylethylenediamine diacetate
122-75-8

N,N'-dibenzylethylenediamine diacetate

6-[(1R,4R)-4-(methoxycarbonyl)cyclohexane-1-yl]-6-nitro-1,4-bis(phenylmethyl)-tetrahydro-1H-1,4-diazepine

6-[(1R,4R)-4-(methoxycarbonyl)cyclohexane-1-yl]-6-nitro-1,4-bis(phenylmethyl)-tetrahydro-1H-1,4-diazepine

Conditions
ConditionsYield
Stage #1: N,N'-dibenzylethylenediamine diacetate In ethanol at 60℃;
Stage #2: 6-[bis[2-[(1,1-dimethyl)ethoxy]-2-oxoethyl]amino]-6-[5-[(2,5-dioxo-1-pyrrolidinyl)oxy]-5-oxopent-1-yl]-tetrahydro-1H-1,4-diazepine-1,4(5H)-diacetic acid bis [(1,1-dimethyl)ethyl] ester In ethanol at 80℃;
Stage #3: (1R,4R)-4-(nitromethyl)cyclohexanecarboxylic acid methyl ester In ethanol
76%
C19H18N6O9S3

C19H18N6O9S3

N,N'-dibenzylethylenediamine diacetate
122-75-8

N,N'-dibenzylethylenediamine diacetate

cefonicid acid N,N dibenzyl ethylene diamine diacetate salt

cefonicid acid N,N dibenzyl ethylene diamine diacetate salt

Conditions
ConditionsYield
Stage #1: C19H18N6O9S3 With water; trifluoroacetic acid at 33℃; for 6h;
Stage #2: N,N'-dibenzylethylenediamine diacetate In methanol; water Reagent/catalyst; Temperature;
69.8%
formaldehyd
50-00-0

formaldehyd

11-nitroundecanoic acid tert-butyl ester
873201-44-6

11-nitroundecanoic acid tert-butyl ester

N,N'-dibenzylethylenediamine diacetate
122-75-8

N,N'-dibenzylethylenediamine diacetate

C33H49N3O4
873201-45-7

C33H49N3O4

Conditions
ConditionsYield
In ethanol; toluene for 3h; Heating / reflux;69%
formaldehyd
50-00-0

formaldehyd

nitromethane
75-52-5

nitromethane

N,N'-dibenzylethylenediamine diacetate
122-75-8

N,N'-dibenzylethylenediamine diacetate

1,4-dibenzyl-6-nitro-1,4-diazepane

1,4-dibenzyl-6-nitro-1,4-diazepane

Conditions
ConditionsYield
In ethanol; toluene for 6h; Henry reaction; Reflux;62%
N,N'-dibenzylethylenediamine diacetate
122-75-8

N,N'-dibenzylethylenediamine diacetate

6β-(2,6-dimethoxy-benzoylamino)-penicillanic acid; potassium salt
38958-59-7

6β-(2,6-dimethoxy-benzoylamino)-penicillanic acid; potassium salt

(5R)-6t-(2,6-dimethoxy-benzoylamino)-3,3-dimethyl-7-oxo-(5rH)-4-thia-1-aza-bicyclo[3.2.0]heptane-2c-carbothioic acid; N,N'-dibenzyl-ethane-1,2-diamine salt (2:1)
4234-36-0, 106884-52-0

(5R)-6t-(2,6-dimethoxy-benzoylamino)-3,3-dimethyl-7-oxo-(5rH)-4-thia-1-aza-bicyclo[3.2.0]heptane-2c-carbothioic acid; N,N'-dibenzyl-ethane-1,2-diamine salt (2:1)

Conditions
ConditionsYield
(i) Et3N*HCl, CH2Cl2, (ii) ClCO2Et, DMF, (iii) NaSH, (iv) /BRN= 3781362/, H2O; Multistep reaction;
N,N'-dibenzylethylenediamine diacetate
122-75-8

N,N'-dibenzylethylenediamine diacetate

6β-(5-methyl-3-phenyl-isoxazole-4-carbonylamino)-penicillanic acid; potassium salt
14217-64-2

6β-(5-methyl-3-phenyl-isoxazole-4-carbonylamino)-penicillanic acid; potassium salt

(5R)-3,3-dimethyl-6t-(5-methyl-3-phenyl-isoxazole-4-carbonylamino)-7-oxo-(5rH)-4-thia-1-aza-bicyclo[3.2.0]heptane-2c-carbothioic acid; N,N'-dibenzyl-ethane-1,2-diamine salt (2:1)
4152-20-9, 5230-01-3

(5R)-3,3-dimethyl-6t-(5-methyl-3-phenyl-isoxazole-4-carbonylamino)-7-oxo-(5rH)-4-thia-1-aza-bicyclo[3.2.0]heptane-2c-carbothioic acid; N,N'-dibenzyl-ethane-1,2-diamine salt (2:1)

Conditions
ConditionsYield
(i) Et3N*HCl, CH2Cl2, (ii) ClCO2Et, DMF, (iii) NaSH, (iv) /BRN= 3781362/, H2O; Multistep reaction;
N,N'-dibenzylethylenediamine diacetate
122-75-8

N,N'-dibenzylethylenediamine diacetate

6β-[3-(4-chloro-phenyl)-5-methyl-isoxazole-4-carbonylamino]-penicillanic acid; potassium salt

6β-[3-(4-chloro-phenyl)-5-methyl-isoxazole-4-carbonylamino]-penicillanic acid; potassium salt

(5R)-6t-[3-(4-chloro-phenyl)-5-methyl-isoxazole-4-carbonylamino]-3,3-dimethyl-7-oxo-(5rH)-4-thia-1-aza-bicyclo[3.2.0]heptane-2c-carbothioic acid; N,N'-dibenzyl-ethane-1,2-diamine salt (2:1)
4288-79-3, 106991-43-9

(5R)-6t-[3-(4-chloro-phenyl)-5-methyl-isoxazole-4-carbonylamino]-3,3-dimethyl-7-oxo-(5rH)-4-thia-1-aza-bicyclo[3.2.0]heptane-2c-carbothioic acid; N,N'-dibenzyl-ethane-1,2-diamine salt (2:1)

Conditions
ConditionsYield
(i) Et3N*HCl, CH2Cl2, (ii) ClCO2Et, DMF, (iii) NaSH, (iv) /BRN= 3781362/, H2O; Multistep reaction;
N,N'-dibenzylethylenediamine diacetate
122-75-8

N,N'-dibenzylethylenediamine diacetate

6β-(biphenyl-2-carbonylamino)-penicillanic acid; potassium salt
114536-33-3

6β-(biphenyl-2-carbonylamino)-penicillanic acid; potassium salt

(5R)-6t-(biphenyl-2-carbonylamino)-3,3-dimethyl-7-oxo-(5rH)-4-thia-1-aza-bicyclo[3.2.0]heptane-2c-carbothioic acid; N,N'-dibenzyl-ethane-1,2-diamine salt (2:1)
4152-21-0, 107062-77-1

(5R)-6t-(biphenyl-2-carbonylamino)-3,3-dimethyl-7-oxo-(5rH)-4-thia-1-aza-bicyclo[3.2.0]heptane-2c-carbothioic acid; N,N'-dibenzyl-ethane-1,2-diamine salt (2:1)

Conditions
ConditionsYield
(i) Et3N*HCl, CH2Cl2, (ii) ClCO2Et, DMF, (iii) NaSH, (iv) /BRN= 3781362/, H2O; Multistep reaction;
2,5-dihydrofuran
1708-29-8

2,5-dihydrofuran

N,N'-dibenzylethylenediamine diacetate
122-75-8

N,N'-dibenzylethylenediamine diacetate

4,7,13,16-tetrabenzyl-1,10-dioxa-4,7,13,16-tetraaza-cyclooctadecane
102739-82-2

4,7,13,16-tetrabenzyl-1,10-dioxa-4,7,13,16-tetraaza-cyclooctadecane

Conditions
ConditionsYield
Yield given. Multistep reaction;
dimethyl 7-oxabicyclo[2.2.1]hept-5-ene exo,exo-2,3-dicarboxylate
1984-43-6, 6828-11-1, 51372-64-6, 59275-03-5

dimethyl 7-oxabicyclo[2.2.1]hept-5-ene exo,exo-2,3-dicarboxylate

N,N'-dibenzylethylenediamine diacetate
122-75-8

N,N'-dibenzylethylenediamine diacetate

3,6-Dibenzyl-9,10-dimethoxycarbonyl-11-oxa-3,6-diazabicyclo<6.2.1>undecane
102739-79-7

3,6-Dibenzyl-9,10-dimethoxycarbonyl-11-oxa-3,6-diazabicyclo<6.2.1>undecane

Conditions
ConditionsYield
Yield given. Multistep reaction;
N-(benzyloxycarbonyl)aminomethylphosphonic acid
55601-40-6

N-(benzyloxycarbonyl)aminomethylphosphonic acid

N,N'-dibenzylethylenediamine diacetate
122-75-8

N,N'-dibenzylethylenediamine diacetate

benzoic acid anhydride
93-97-0

benzoic acid anhydride

N,N'-dibenzylethylenediammonium bis[benzoyl N-(benzyloxycarbonyl)aminomethylphosphonate]

N,N'-dibenzylethylenediammonium bis[benzoyl N-(benzyloxycarbonyl)aminomethylphosphonate]

Conditions
ConditionsYield
Stage #1: N-(benzyloxycarbonyl)aminomethylphosphonic acid; benzoic acid anhydride With sodium hydroxide In pyridine at 0℃; for 0.25h;
Stage #2: N,N'-dibenzylethylenediamine diacetate In water at 0℃; for 0.166667h;
N,N'-dibenzylethylenediamine diacetate
122-75-8

N,N'-dibenzylethylenediamine diacetate

rosuvastatin
287714-41-4

rosuvastatin

(3R,5S,6E)-7-[4-(4-fluorophenyl)-6-(1-methylethyl)]-2-[methyl(methylsulfonyl)amino-5-pyrimidinyl]-3,5-dihydroxy-6-heptenoic acid N,N'-dibenzylethylenediamine

(3R,5S,6E)-7-[4-(4-fluorophenyl)-6-(1-methylethyl)]-2-[methyl(methylsulfonyl)amino-5-pyrimidinyl]-3,5-dihydroxy-6-heptenoic acid N,N'-dibenzylethylenediamine

Conditions
ConditionsYield
In water at 24 - 30℃; for 2h; Product distribution / selectivity;
N,N'-dibenzylethylenediamine diacetate
122-75-8

N,N'-dibenzylethylenediamine diacetate

2-aminomethyl-1,4-di-phenylmethyl piperazine
116163-33-8, 1035052-05-1, 1035052-07-3

2-aminomethyl-1,4-di-phenylmethyl piperazine

Conditions
ConditionsYield
Multi-step reaction with 2 steps
1: 98.2 percent / Et3N / benzene / 3 h / Heating
2: 64 percent / Na; EtOH / Heating
View Scheme
N,N'-dibenzylethylenediamine diacetate
122-75-8

N,N'-dibenzylethylenediamine diacetate

1,4-dibenzyl-2-(2,2-dimethylpropionylaminomethyl)piperazine
253873-10-8

1,4-dibenzyl-2-(2,2-dimethylpropionylaminomethyl)piperazine

Conditions
ConditionsYield
Multi-step reaction with 3 steps
1: 98.2 percent / Et3N / benzene / 3 h / Heating
2: 64 percent / Na; EtOH / Heating
3: 49 percent / Et3N / CH2Cl2 / 5 h
View Scheme
C18H16ClN3O8S2

C18H16ClN3O8S2

N,N'-dibenzylethylenediamine diacetate
122-75-8

N,N'-dibenzylethylenediamine diacetate

C16H20N2*C18H16ClN3O8S2

C16H20N2*C18H16ClN3O8S2

Conditions
ConditionsYield
With triethylamine In water at 0 - 5℃; for 1.5h; pH=7.0 - 7.5;
C17H16ClN6O8S2(1-)*Na(1+)

C17H16ClN6O8S2(1-)*Na(1+)

N,N'-dibenzylethylenediamine diacetate
122-75-8

N,N'-dibenzylethylenediamine diacetate

C16H20N2*C17H17ClN6O8S2

C16H20N2*C17H17ClN6O8S2

Conditions
ConditionsYield
In water at 0 - 20℃; for 1.75h;
C15H16ClN3O8S

C15H16ClN3O8S

N,N'-dibenzylethylenediamine diacetate
122-75-8

N,N'-dibenzylethylenediamine diacetate

C15H16ClN3O8S*C16H20N2

C15H16ClN3O8S*C16H20N2

Conditions
ConditionsYield
In water at 0 - 5℃; for 2h;
C21H24ClN3O8S2Si

C21H24ClN3O8S2Si

N,N'-dibenzylethylenediamine diacetate
122-75-8

N,N'-dibenzylethylenediamine diacetate

C16H20N2*C19H17N5O7S3

C16H20N2*C19H17N5O7S3

Conditions
ConditionsYield
With water In water at 0 - 5℃; pH=3;
2,2,2-trichloroethyl 2-(1-methyl-1H-tetrazol-5-yl)-thiomethyl-2-methyl-6-(2-phenylacetamido) penam-3-carboxylate

2,2,2-trichloroethyl 2-(1-methyl-1H-tetrazol-5-yl)-thiomethyl-2-methyl-6-(2-phenylacetamido) penam-3-carboxylate

N,N'-dibenzylethylenediamine diacetate
122-75-8

N,N'-dibenzylethylenediamine diacetate

N,N'-dibenzylethylenediamine 2-(1-methyl-1H-tetrazol-5-yl)-thiomethyl-2-methyl-6-(2-phenylacetamido)penam-3-carboxylate

N,N'-dibenzylethylenediamine 2-(1-methyl-1H-tetrazol-5-yl)-thiomethyl-2-methyl-6-(2-phenylacetamido)penam-3-carboxylate

Conditions
ConditionsYield
With acetic acid In N-methyl-acetamide; ethanol; water; ethyl acetate

122-75-8Relevant articles and documents

Preparation method of N,N-dibenzyl ethylenediamine diacetate

-

Page/Page column 8-10, (2018/10/19)

The invention discloses a preparation method of N,N-dibenzyl ethylenediamine diacetate. The method comprises the following steps: S1, adding 50 parts by weight of diacetyl dibenzyl ethylenediamine material into a three-necked bottle, and adding 80-120 parts by weight of concentrated hydrochloric acid into the three-necked bottle to obtain 36.0-37.5 parts by weight of a compound B; S2, adding 200 parts by weight of water into the compound B obtained in the step S1 for fully dissolving, and dropwise adding a sodium hydroxide solution to adjust the pH value to 8-9; then, adding toluene for extracting for a plurality of times, and carrying out layered treatment to obtain an organic phase of a mixture of a compound C and the toluene; S3, adding the organic phase of the mixture of the compound Cand toluene into the three-necked bottle and distilling under the reduced pressure until no fraction is obtained, then adding ethyl acetate for dissolving, heating up to 60 DEG C, then dropwise adding 20 parts by weight of glacial acetic acid, and drying to obtain 47.0-49.0 parts by weight of dibenzyl ethylenediamine diacetate finally. The preparation method provided by the invention improves thereaction safety and reduces the reaction cost; furthermore, the yield of the dibenzyl ethylenediamine diacetate is also increased to 93% or above.

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