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| CAS No.: | 25952-53-8 |
|---|---|
| Name: | 1-(3-Dimethylaminopropyl)-3-ethylcarbodiimide hydrochloride |
| Molecular Structure: | |
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|
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| Formula: | C8H18ClN3 |
| Molecular Weight: | 191.704 |
| Synonyms: | 1-(3-Dimethylaminopropyl)-3-ethylcarbodiimide hydrochloride; |
| EINECS: | 247-361-2 |
| Density: | 0.877g/mLat 20°C(lit.) |
| Melting Point: | 110-115 °C(lit.) |
| Boiling Point: | 197.7 °C at 760 mmHg |
| Flash Point: | 73.4 °C |
| Solubility: | Soluble in water |
| Appearance: | White crystalline powder |
| Hazard Symbols: |
 C,  Xi
|
| Risk Codes: | 34-36/37/38-41-37/38-20/21/22 |
| Safety: | 26-36/37/39-45-37/39-36 |
| Transport Information: | UN 2735 8/PG 3 |
| PSA: | 27.96000 |
| LogP: | 1.93390 |
N-(3-dimethylaminopropyl)-N-ethylcarbodiimide
1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride
| Conditions | Yield |
|---|---|
| With triethylamine hydrochloride In acetonitrile at 15℃; for 1h; Temperature; | 92% |
1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride
| Conditions | Yield |
|---|---|
| With hydrogenchloride at 90℃; for 42h; | 66% |
pyridine hydrochloride
N-(3-dimethylaminopropyl)-N-ethylcarbodiimide
1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride
| Conditions | Yield |
|---|---|
| In dichloromethane at 30℃; Solvent; Temperature; | 71.2 g |
N-(3-Dimethylamino-propyl)-dithiocarbamidsaeure
1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride
| Conditions | Yield |
|---|---|
| Multi-step reaction with 4 steps 1: chloroformic acid ethyl ester; triethylamine / dichloromethane / 3 h / 10 - 15 °C 2: dichloromethane / 1 h / 10 - 15 °C 3: sodium hypochlorite; ethylenediaminetetraacetic acid / 30 °C 4: dichloromethane / 30 °C View Scheme |
3-(dimethylamino)propyl isothiocyanate
1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride
| Conditions | Yield |
|---|---|
| Multi-step reaction with 3 steps 1: dichloromethane / 1 h / 10 - 15 °C 2: sodium hypochlorite; ethylenediaminetetraacetic acid / 30 °C 3: dichloromethane / 30 °C View Scheme |
1-amino-3-(dimethylamino)propane
1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride
| Conditions | Yield |
|---|---|
| Multi-step reaction with 5 steps 1: methanol / 2 h / 10 - 20 °C 2: chloroformic acid ethyl ester; triethylamine / dichloromethane / 3 h / 10 - 15 °C 3: dichloromethane / 1 h / 10 - 15 °C 4: sodium hypochlorite; ethylenediaminetetraacetic acid / 30 °C 5: dichloromethane / 30 °C View Scheme |
5-(4-Methoxyphenyl)-4-(6-methoxy-3-pyridinyl)-1,3-oxazole-2-carboxylic acid
1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride
| Conditions | Yield |
|---|---|
| With benzotriazol-1-ol In DMF (N,N-dimethyl-formamide) at 0℃; for 18h; | 100% |
pyridinium p-toluenesulfonate
1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride
EDCI*TsOH
| Conditions | Yield |
|---|---|
| With potassium carbonate In dichloromethane | 100% |
1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride
| Conditions | Yield |
|---|---|
| With water at 20℃; | 100% |
glycine ethyl ester hydrochloride
1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride
methyl hippurate
| Conditions | Yield |
|---|---|
| With sodium hydrogencarbonate; benzotriazol-1-ol; benzoic acid | 98% |
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The 1-(3-Dimethylaminopropyl)-3-ethylcarbodiimide hydrochloride is an organic compound with the formula C8H18ClN3. The IUPAC name of this chemical is 3-(ethyliminomethylideneamino)-N,N-dimethylpropan-1-amine hydrochloride. With the CAS registry number 25952-53-8, it is also named as 1-Ethyl-3-(3-dimethylaminopropyl)carbodiimide monohydrochloride. The product's categories are Straight Chain Compounds; Aliphatics; Peptide Coupling Reagents; Biochemistry; Condensation & Active Esterification; Coupling Reactions (Peptide Synthesis); Peptide Synthesis; Reagents for Oligosaccharide Synthesis; Synthetic Organic Chemistry; Peptide; Amine. Besides, it is a white crystalline powder, which should be stored at temperature of -20 °C. It is mainly used as dehydrating agent of peptides, proteins and nucleotide synthesis.
Physical properties of 1-(3-Dimethylaminopropyl)-3-ethylcarbodiimide hydrochloride:
(1)ACD/LogP: 2.32; (2)ACD/LogD (pH 5.5): -0.73; (3)ACD/LogD (pH 7.4): 0.25; (4)ACD/BCF (pH 5.5): 1; (5)ACD/BCF (pH 7.4): 1; (6)ACD/KOC (pH 5.5): 1; (7)ACD/KOC (pH 7.4): 3.67; (8)#H bond acceptors: 3; (9)#Freely Rotating Bonds: 5; (10)Polar Surface Area: 27.96 Å2; (11)Flash Point: 73.4 °C; (12)Enthalpy of Vaporization: 43.39 kJ/mol; (13)Boiling Point: 197.7 °C at 760 mmHg; (14)Vapour Pressure: 0.373 mmHg at 25°C.
Structure descriptors of 1-(3-Dimethylaminopropyl)-3-ethylcarbodiimide hydrochloride
(1)SMILES: Cl.N(=C=N\CCCN(C)C)\CC
(2)InChI: InChI=1/C8H17N3.ClH/c1-4-9-8-10-6-5-7-11(2)3;/h4-7H2,1-3H3;1H
(3)InChIKey: FPQQSJJWHUJYPU-UHFFFAOYAS
(4)Std. InChI: InChI=1S/C8H17N3.ClH/c1-4-9-8-10-6-5-7-11(2)3;/h4-7H2,1-3H3;1H
(5)Std. InChIKey: FPQQSJJWHUJYPU-UHFFFAOYSA-N
Uses of 1-(3-Dimethylaminopropyl)-3-ethylcarbodiimide hydrochloride:
1-(3-Dimethylaminopropyl)-3-ethylcarbodiimide hydrochloride can be used to produce (17R)-2'-ethylimino-3'-dimethylaminopropylspiro(androst-4-ene-17,5'-oxazolidine)-3,4'-dione at ambient temperature. It will need reagent solvent dimethylformamide with reaction time of 3 hours. The yield is about 31%.
Safety information of 1-(3-Dimethylaminopropyl)-3-ethylcarbodiimide hydrochloride:
It is harmful by inhalation, in contact with skin and if swallowed and can cause burns. In case of contact with eyes, rinse immediately with plenty of water and seek medical advice. Besides, this chemical is irritating to eyes, respiratory system and skin and risk of serious damage to eyes. When you are using it, wear suitable gloves and eye/face protection. In case of accident or if you feel unwell seek medical advice immediately (show the label where possible).
The toxicity data of 1-(3-Dimethylaminopropyl)-3-ethylcarbodiimide hydrochloride is as follows:
| Organism | Test Type | Route | Reported Dose (Normalized Dose) | Effect | Source |
|---|---|---|---|---|---|
| mouse | LD50 | intravenous | 56mg/kg (56mg/kg) | U.S. Army Armament Research & Development Command, Chemical Systems Laboratory, NIOSH Exchange Chemicals. Vol. NX#03375, |
