1-(3-Dimethylaminopropyl)-3-ethylcarbodiimide hydrochloride supplier

Name
1-(3-Dimethylaminopropyl)-3-ethylcarbodiimide hydrochloride
EINECS 247-361-2
CAS No. 25952-53-8
Article Data4
CAS DataBase
Density 0.877g/mLat 20°C(lit.)
Solubility Soluble in water
Melting Point 110-115 °C(lit.)
Formula C₈H₁₈ClN₃
Boiling Point 197.7 °C at 760 mmHg
Molecular Weight 191.704
Flash Point 73.4 °C
Transport Information UN 2735 8/PG 3
Appearance White crystalline powder
Safety 26-36/37/39-45-37/39-36
Risk Codes 34-36/37/38-41-37/38-20/21/22
Molecular Structure
Hazard Symbols C, Xi
Synonyms 1-(3-Dimethylaminopropyl)-3-ethylcarbodiimide hydrochloride;
PSA 27.96000
LogP 1.93390

Synthetic route

: 1892-57-5
N-(3-dimethylaminopropyl)-N-ethylcarbodiimide

: 25952-53-8
1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride

Conditions

Conditions	Yield
With triethylamine hydrochloride In acetonitrile at 15℃; for 1h; Temperature;	92%

: {7-cyano-2-[4-(4-fluorophenyl)-1-piperazinyl]-3-[3-(trifluoromethyl)phenyl]-3,4-dihydro-4-quinazolinyl}-acetic acid methyl ester

: 25952-53-8
1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride

Conditions

Conditions	Yield
With hydrogenchloride at 90℃; for 42h;	66%

: 628-13-7
pyridine hydrochloride

: 1892-57-5
N-(3-dimethylaminopropyl)-N-ethylcarbodiimide

: 25952-53-8
1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride

Conditions

Conditions	Yield
In dichloromethane at 30℃; Solvent; Temperature;	71.2 g

: 18997-72-3
N-(3-Dimethylamino-propyl)-dithiocarbamidsaeure

: 25952-53-8
1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride

Conditions

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

: 27421-70-1
3-(dimethylamino)propyl isothiocyanate

: 25952-53-8
1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride

Conditions

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

: 109-55-7
1-amino-3-(dimethylamino)propane

: 25952-53-8
1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride

Conditions

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

: 735265-93-7
5-(4-Methoxyphenyl)-4-(6-methoxy-3-pyridinyl)-1,3-oxazole-2-carboxylic acid

: 25952-53-8
1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride

: 5-(4-Methoxyphenyl)-4-(6-methoxy-3-pyridinyl)-1,3-oxazole-2-carboxamide

Conditions

Conditions	Yield
With benzotriazol-1-ol In DMF (N,N-dimethyl-formamide) at 0℃; for 18h;	100%

: 24057-28-1
pyridinium p-toluenesulfonate

: 25952-53-8
1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride

: 1363481-45-1
EDCI*TsOH

Conditions

Conditions	Yield
With potassium carbonate In dichloromethane	100%

: 25952-53-8
1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride

: 1-ethyl-3-(3-dimethylaminopropyl)carbodiimide hydrochloride

Conditions

Conditions	Yield
With water at 20℃;	100%

: 5680-79-5
glycine ethyl ester hydrochloride

: 25952-53-8
1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride

: 1205-08-9
methyl hippurate

Conditions

Conditions	Yield
With sodium hydrogencarbonate; benzotriazol-1-ol; benzoic acid	98%

: 279236-77-0
3-(5-methyl-1H-imidazol-1-yl)propan-1-amine

: 18856-63-8
(4-ethylphenyl)isothiocyanate

: 25952-53-8
1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride

: 1073243-01-2
2-cyano(4-ethylphenyl)-3-(3-(5-methyl-1H-imidazol-1-yl)propyl)guanidine

Conditions

Conditions	Yield
With sodium cyanamide In ethanol; N,N-dimethyl-formamide at 20℃; for 6h; Heating / reflux;	96.7%

...Expand

: 616241-41-9
(S)-2-{(S)-2-[(S)-2-((S)-2-Benzyloxycarbonylamino-2-methyl-pentanoylamino)-2-methyl-pentanoylamino]-2-methyl-pentanoylamino}-2-methyl-pentanoic acid

: 25952-53-8
1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride

: ((S)-1-Methyl-1-{(S)-1-methyl-1-[(S)-1-methyl-1-(4-methyl-5-oxo-4-propyl-oxazolidine-3-carbonyl)-butylcarbamoyl]-butylcarbamoyl}-butyl)-carbamic acid benzyl ester

Conditions

Conditions	Yield
In dichloromethane at 20℃; for 3h;	95%

: 74654-07-2
2-[2-(2-methoxyethoxy)ethoxy]ethylamine

: 553-12-8
protoporphyrin IX

: 2592-95-2
benzotriazol-1-ol

: 25952-53-8
1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride

: C48H64N6O8

Conditions

Conditions	Yield
Stage #1: protoporphyrin IX; benzotriazol-1-ol In N,N-dimethyl-formamide at 0℃; for 0.666667h; Inert atmosphere; Stage #2: 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In N,N-dimethyl-formamide at 0℃; for 1h; Inert atmosphere; Stage #3: 2-[2-(2-methoxyethoxy)ethoxy]ethylamine In N,N-dimethyl-formamide at 0 - 20℃; for 28h; Inert atmosphere;	95%

...Expand

: 1744-12-3
2,2-difluorobenzo[d][1,3]dioxole-5,6-diamine

: 25952-53-8
1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride

: N-ethyl-2,2-difluoro-5H-[1,3]dioxolo[4',5':4,5]benzo[1,2-d]imidazol-6-amine

Conditions

Conditions	Yield
In isopropyl alcohol at 80℃; for 0.25h; Microwave irradiation;	95%

: 2835-97-4
2-amino-3-methylphenol

: 25952-53-8
1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride

: N-ethyl-4-methylbenzo[d]oxazol-2-amine

Conditions

Conditions	Yield
In isopropyl alcohol at 80℃; for 0.25h; Microwave irradiation;	95%

: 68176-57-8
4-(tert-butyl)-1,2-diaminobenzene

: 25952-53-8
1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride

: 5-(tert-butyl)-N-ethyl-1H-benzo[d]imidazol-2-amine

Conditions

Conditions	Yield
In isopropyl alcohol at 80℃; for 0.25h; Microwave irradiation;	94%

: 25952-53-8
1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride

: 1199-46-8
2-amino-4-tert-butylphenol

: 5-(tert-butyl)-N-ethylbenzo[d]oxazol-2-amine

Conditions

Conditions	Yield
In isopropyl alcohol at 80℃; for 0.25h; Microwave irradiation;	94%

: 93933-49-4
2-amino-4-bromobenzenethiol

: 25952-53-8
1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride

: 5-bromo-N-ethylbenzo[d]thiazol-2-amine

Conditions

Conditions	Yield
In isopropyl alcohol at 80℃; for 0.25h; Microwave irradiation;	94%

: (R)-N-((2S,4S)-2-(2-chloro-3-fluorophenyl)-5,5,5-trifluoro-4-hydroxypentan-2-yl)-2-methylpropane-2-sulfinamide

: 25952-53-8
1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride

: 532-55-8
Benzoyl isothiocyanate

: 1624606-91-2
N-((4S,6S)-4-(2-chloro-3-fluorophenyl)-4-methyl-6-(trifluoromethyl)-5,6-dihydro-4H-1,3-oxazin-2-yl)benzamide

Conditions

Conditions	Yield
With hydrogenchloride; triethylamine In tetrahydrofuran; 1,4-dioxane; methanol; ethyl acetate	93%

...Expand

: 2016-42-4
tetradecylamine

: 28393-02-4
10,12-docosadiynedioic acid

: 25952-53-8
1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride

A: N1,N22-ditetradecyldocosa-10,12-diynediamide

B: 32897-26-0
1-ethyl-3-(3-dimethylaminopropyl)carbodiimide

Conditions

Conditions	Yield
With dmap In chloroform at 25℃; for 20h;	A 92.6% B n/a

...Expand

: 25952-53-8
1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride

: C8H19N3O3S*ClH

Conditions

Conditions	Yield
With sodium hydrogensulfite; sodium hydroxide In water at 20℃; for 4h; pH=6.8;	92%

: N-acetylchondrosine lithium salt

: 25952-53-8
1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride

: C22H40N4O12*ClH*H2O

Conditions

Conditions	Yield
In water for 1h; Ambient temperature; pH=4.75;	91.4%

: (2S)-2-[(tert-Butoxycarbonyl)amino]-3-{[(2-nitrophenyl)sulfonyl]amino}propionic Acid

: 13200-60-7
Sarcosine ethyl ester

: 25952-53-8
1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride

: {[(S)-2-tert-Butoxycarbonylamino-3-(2-nitro-benzenesulfonylamino)-propionyl]-methyl-amino}-acetic acid ethyl ester

Conditions

Conditions	Yield
With benzotriazol-1-ol In chloroform; water; ethyl acetate; N,N-dimethyl-formamide	91%

...Expand

: 619-21-6
m-formylphenyl benzoic acid

: 1415994-42-1
(1S)-2-(3,5-dichloro-1-oxido-pyridin-1-ium-4-yl)-1-(3,4-dimethoxyphenyl)ethanol

: 25952-53-8
1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride

: [(1S)-2-(3,5-dichloro-1-oxido-pyridin-1-ium-4-yl)-1-(3,4-dimethoxyphenyl)ethyl]3-formylbenzoate

Conditions

Conditions	Yield
With dmap	91%

...Expand

: 1314908-23-0
N-ethylaminoxyacetamide

: α-[4-(3,5-dichloropyridyl-2-oxy)phenoxy]propionic acid

: 25952-53-8
1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride

: N-ethylcarbamoylmethoxy-2-[4-(3,5-dichloro-pyridin-2-yloxy)phenoxy]propionamide

Conditions

Conditions	Yield
In dichloromethane	90%

...Expand

: (3S,4S)-4-(4-bromophenyl)-1-methyl-pyrrolidine-3-carboxylic acid

: 106-47-8
4-chloro-aniline

: 25952-53-8
1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride

A: (3R,4S)-4-(4-bromophenyl)-1-methyl-pyrrolidine-3-carboxylic acid (4-chlorophenyl)amide

B: C20H31BrN4O2

C: C20H31BrN4O2

Conditions

Conditions	Yield
Stage #1: (3S,4S)-4-(4-bromophenyl)-1-methyl-pyrrolidine-3-carboxylic acid; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride With benzotriazol-1-ol In N,N-dimethyl-formamide at 20℃; for 4h; Stage #2: 4-chloro-aniline In N,N-dimethyl-formamide at 50℃; for 2h;	A 90% B n/a C n/a

...Expand

: 25952-53-8
1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride

: 95-54-5
1,2-diamino-benzene

: 21578-59-6
N-ethyl-1H-benzo[d]imidazol-2-amine

Conditions

Conditions	Yield
In isopropyl alcohol at 80℃; for 0.25h; Solvent; Temperature; Wavelength; Microwave irradiation;	90%

: 25952-53-8
1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride

: 95-55-6
2-amino-phenol

: 21326-91-0
N-ethylbenzo[d]oxazol-2-amine

Conditions

Conditions	Yield
In isopropyl alcohol at 80℃; for 0.25h; Microwave irradiation;	90%

: 25952-53-8
1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride

: 17672-22-9
2-amino-6-methylphenol

: N-ethyl-7-methylbenzo[d]oxazol-2-amine

Conditions

Conditions	Yield
In isopropyl alcohol at 80℃; for 0.25h; Microwave irradiation;	90%

: 25952-53-8
1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride

: 137-07-5
2-amino-benzenethiol

: 28291-69-2
2-ethylaminobenzothiazole

Conditions

Conditions	Yield
In isopropyl alcohol at 80℃; for 0.25h; Microwave irradiation;	90%

: 25952-53-8
1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride

: 4760-34-3
N-methyl-1,2-phenylenediamine

: 98711-68-3
N-ethyl-1-methyl-1H-benzo[d]imidazol-2-amine

Conditions

Conditions	Yield
In isopropyl alcohol at 80℃; for 0.25h; Microwave irradiation;	89%

: 1122-58-3
dmap

: 112-53-8
1-dodecyl alcohol

: 1152-61-0
N-Cbz-L-Asp

: 25952-53-8
1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride

: 213017-46-0
C36H61NO6

Conditions

Conditions	Yield
Stage #1: N-Cbz-L-Asp; 1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride In dichloromethane at 0℃; for 0.5h; Stage #2: dmap; 1-dodecyl alcohol at 20℃; for 24h;	88%

...Expand

: 25952-53-8
1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride

: 1575-37-7
4-Bromo-benzene-1,2-diamine

: 5-bromo-N-ethyl-1H-benzo[d]imidazol-2-amine

Conditions

Conditions	Yield
In isopropyl alcohol at 80℃; for 0.25h; Microwave irradiation;	88%

: 771-97-1
2,3-Diaminonaphthalene

: 25952-53-8
1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride

: N-ethyl-1H-naphtho[2,3-d]imidazol-2-amine

Conditions

Conditions	Yield
In isopropyl alcohol at 80℃; for 0.25h; Microwave irradiation;	88%

: 25952-53-8
1-ethyl-(3-(3-dimethylamino)propyl)-carbodiimide hydrochloride

: 5417-63-0
3-Amino-2-naphthol

: N-ethylnaphtho[2,3-d]oxazol-2-amine

Conditions

Conditions	Yield
In isopropyl alcohol at 80℃; for 0.25h; Microwave irradiation;	88%

1-(3-Dimethylaminopropyl)-3-ethylcarbodiimide hydrochloride Consensus Reports

Reported in EPA TSCA Inventory.

1-(3-Dimethylaminopropyl)-3-ethylcarbodiimide hydrochloride Specification

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,

Product Name

1-(3-Dimethylaminopropyl)-3-ethylcarbodiimide hydrochloride

Synthetic route

1-(3-Dimethylaminopropyl)-3-ethylcarbodiimide hydrochloride Consensus Reports

1-(3-Dimethylaminopropyl)-3-ethylcarbodiimide hydrochloride Specification

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