CAS RN: 25952-53-8 | Product Number: D1601
1-(3-Dimethylaminopropyl)-3-ethylcarbodiimide Hydrochloride [Coupling Agent for Peptides Synthesis]
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|Purity / Analysis Method||>98.0%(T)|
|Molecular Formula / Molecular Weight||C__8H__1__7N__3·HCl = 191.70|
|Physical State (20 deg.C)||Solid|
|Store Under Inert Gas||Store under inert gas|
|Condition to Avoid||Moisture Sensitive,Heat Sensitive|
|Reaxys Registry Number||5764110|
|PubChem Substance ID||87568083|
|SDBS (AIST Spectral DB)||21309|
|Appearance||White powder to crystal|
|Purity(with Total Nitrogen)||min. 97.0 %|
|Purity(Argentometric Titration)||min. 98.0 %|
|Melting Point||116 °C|
|Degree of solubility in water||1,000 g/l 20 °C|
|Solubility (soluble in)||Dimethylformamide, Alcohol|
|Hazard Statements||H311 : Toxic in contact with skin.
H302 : Harmful if swallowed.
H315 : Causes skin irritation.
H319 : Causes serious eye irritation.
H373 : May cause damage to organs through prolonged or repeated exposure.
H317 : May cause an allergic skin reaction.
H410 : Very toxic to aquatic life with long lasting effects.
|Precautionary Statements||P273 : Avoid release to the environment.
P260 : Do not breathe dust/ fume/ gas/ mist/ vapours/ spray.
P264 : Wash skin thoroughly after handling.
P280 : Wear protective gloves/ protective clothing/ eye protection/ face protection/ hearing protection.
P391 : Collect spillage.
P302 + P352 + P312 : IF ON SKIN: Wash with plenty of water. Call a POISON CENTER/doctor if you feel unwell.
1-(2-methoxyphenyl)piperazine (500 mg, 2.60 mmol) was dissolved in DMF (15 mL). To this solution was added N-benzyloxycarbonyl-L-phenylalanine (770 mg, 2.60 mmol) and HOBt·H2O (414 mg, 2.71 mmol). The reaction mixture was cooled to 0 °C, then EDC·HCl (515 mg, 2.71 mmol) was added. Reaction was allowed to warm to room temperature, then stirred for 20 h at room temperature. Complete of the reaction was confirmed by TLC. Reaction was quenched by adding H2O (20 mL). Reaction mixture was extracted by EtOAc (30 mL). Organic phase was washed with H2O (20 mL, twice) and brine (20 mL), dried over Na2SO4, concentrated under reduced pressure to afford the crude product (1.2 g) as pale yellow oil. The crude product was purified by column chromatography on silica gel (hexane : ethyl acetate = 40 : 60) to afford the product 1 as a white powder (1.10 g, 2.32 mmol, 90%).
The reaction mixture was monitored by TLC (hexane / ethyl acetate = 4 : 6, Rf = 0.40)
Analytical Data（Compound 1）
1H NMR (400 MHz, CDCl3); δ 7.39-7.16 (m, 10H), 6.99 (m, 1H), 6.91-6.84 (m, 2H), 6.78 (m, 1H), 5.73 (d, J = 8,2 Hz, 1H), 5.12-5.01 (m, 2H), 4.91 (dd, J= 7.7, 7.3 Hz, 1H), 3.82 (s, 3H), 3.71-3.63 (m, 2H), 3.51 (m, 1H), 3.31 (m, 1H), 3.07-2.78 (m, 5H), 2.51 (m, 1H).
(Δ means dehydro-form.)
- Total Synthesis of (+)-Lithospermic Acid by Asymmetric Intramolecular Alkylation via Catalytic C−H Bond Activation
Safety Data Sheet (SDS)
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C of A & Other Certificates
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